A0A3Q0KPP0_SCHMA Loading...

Putative g-protein coupled receptor

AlphaFold DB , UniProt , Accession A0A3Q0KPP0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 798 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M87.2Confident90.1Very high107 Ų10742.9 Ų42.953%0.52726%0.261SS..  0-87.10-63.4-160.877.400109.9A3 T4 L5 W77M1-A3 PolarHBondContact O-N 3.43Å; M1-T4 VanDerWaalsContact CA-OG1 3.24Å; M1-T4 WeakPolarHBondContact CA-OG1 3.43Å; M1-T4 PolarHBondContact N-OG1 3.04Å; M1-T4 CarbonylContact O-C 3.52Å; M1-T4 PolarHBondContact O-N 3.15Å; M1-T4 PolarHBondContact O-OG1 2.86Å; M1-T4 VanDerWaalsContact O-OG1 3.08Å; M1-L5 HydrophobicContact CE-CD1 4.31Å; M1-L5 PolarHBondContact O-N 3.39Å; M1-W77 HydrophobicContact CE-CH2 3.63Å; M1-W77 HydrophobicContact CE-CZ3 4.12Å; M1-W77 HydrophobicContact SD-CH2 3.57Å; M1-W77 VanDerWaalsContact SD-CH2 3.57Å; M1-W77 HydrophobicContact SD-CZ2 4.05Å
2V88.6Confident90.2Very high22 Ų2245.8 Ų45.813%0.13327%0.272CS..G310 helixtrans-51.3-53.9176.4-1720000111.7T4 P6 M7 C36 Y762V2-T4 PolarHBondContact O-N 3.35Å; V2-P6 HydrophobicContact CB-CG 4.49Å; V2-P6 HydrophobicContact CG1-CG 4.06Å; V2-P6 WeakPolarHBondContact O-CD 3.31Å; V2-P6 WeakPolarHBondContact O-CG 3.49Å; V2-M7 HydrophobicContact CB-CE 4.28Å; V2-M7 HydrophobicContact CG1-CE 3.65Å; V2-M7 HydrophobicContact CG1-CG 4.33Å; V2-M7 WeakPolarHBondContact O-CG 3.39Å; V2-M7 PolarHBondContact O-N 3.25Å; V2-M7 VanDerWaalsContact O-N 3.15Å; V2-C36 HydrophobicContact CG2-CB 3.78Å; V2-Y762 HydrophobicContact CG1-CD1 3.72Å; V2-Y762 HydrophobicContact CG1-CE1 3.9Å
3A88.6Confident90.1Very high55 Ų5546.6 Ų46.646%0.45527%0.269SS..G310 helixtrans-69.31.3177.900000116.2M1 M7M1-A3 PolarHBondContact O-N 3.43Å; A3-M7 HydrophobicContact CB-CE 3.96Å; A3-M7 HydrophobicContact CB-SD 3.93Å
4T90Very high89.9Confident91 Ų9149.1 Ų49.156%0.55828%0.276SS*.G310 helixtrans-131.6-5.9-175.564.40000113.9M1 V2M1-T4 VanDerWaalsContact CA-OG1 3.24Å; M1-T4 WeakPolarHBondContact CA-OG1 3.43Å; M1-T4 PolarHBondContact N-OG1 3.04Å; M1-T4 CarbonylContact O-C 3.52Å; M1-T4 PolarHBondContact O-N 3.15Å; M1-T4 PolarHBondContact O-OG1 2.86Å; M1-T4 VanDerWaalsContact O-OG1 3.08Å; V2-T4 PolarHBondContact O-N 3.35Å
5L90.5Very high90Very high60 Ų6055.5 Ų55.531%0.31431%0.308SS..THydrogen-bonded Turntrans-128.2-70.1-176.7-61172.1000110.8M1 V9 F28 S32M1-L5 HydrophobicContact CE-CD1 4.31Å; M1-L5 PolarHBondContact O-N 3.39Å; L5-V9 WeakPolarHBondContact O-CG2 3.18Å; L5-F28 HydrophobicContact CD2-CZ 4.42Å; L5-S32 WeakPolarHBondContact CB-OG 3.18Å
6P91.4Very high89.8Confident0 Ų054.4 Ų54.40%031%0.305CS..Hα-helixtrans-74.2-38176.429.4-36.8000114V2 V9 A10 D33V2-P6 HydrophobicContact CB-CG 4.49Å; V2-P6 HydrophobicContact CG1-CG 4.06Å; V2-P6 WeakPolarHBondContact O-CD 3.31Å; V2-P6 WeakPolarHBondContact O-CG 3.49Å; P6-V9 PolarHBondContact O-N 3.3Å; P6-A10 WeakPolarHBondContact O-CB 3.36Å; P6-A10 PolarHBondContact O-N 3.23Å; P6-D33 HydrophobicContact CB-CB 3.88Å; P6-D33 VanDerWaalsContact CB-OD1 3.31Å; P6-D33 WeakPolarHBondContact CB-OD1 3.36Å; P6-D33 HydrophobicContact CG-CB 4.38Å
7M90.5Very high89.3Confident28 Ų2858.2 Ų58.214%0.13832%0.32CS..Hα-helixtrans-58.9-45.5-175.8-74.4-168.1-15400114.8V2 A3 V9 A11 Y762 S765V2-M7 HydrophobicContact CB-CE 4.28Å; V2-M7 HydrophobicContact CG1-CE 3.65Å; V2-M7 HydrophobicContact CG1-CG 4.33Å; V2-M7 WeakPolarHBondContact O-CG 3.39Å; V2-M7 PolarHBondContact O-N 3.25Å; V2-M7 VanDerWaalsContact O-N 3.15Å; A3-M7 HydrophobicContact CB-CE 3.96Å; A3-M7 HydrophobicContact CB-SD 3.93Å; M7-V9 VanDerWaalsContact C-N 3.28Å; M7-V9 PolarHBondContact O-N 3.49Å; M7-A11 VanDerWaalsContact O-CB 3.31Å; M7-A11 WeakPolarHBondContact O-CB 3.32Å; M7-A11 PolarHBondContact O-N 3.38Å; M7-Y762 HydrophobicContact CE-CD1 4.05Å; M7-Y762 HydrophobicContact CE-CG 3.9Å; M7-Y762 VanDerWaalsContact CE-O 3.29Å; M7-Y762 WeakPolarHBondContact CE-O 3.2Å; M7-Y762 HydrophobicContact CG-CD1 3.98Å; M7-Y762 HydrophobicContact CG-CD2 3.74Å; M7-Y762 HydrophobicContact CG-CE1 4.28Å; M7-Y762 HydrophobicContact CG-CE2 4.06Å; M7-Y762 HydrophobicContact CG-CG 3.69Å; M7-Y762 HydrophobicContact SD-CG 4.19Å; M7-S765 WeakPolarHBondContact CE-OG 3.01Å
8P92.3Very high88.9Confident60 Ų6058.6 Ų58.639%0.3932%0.322SS..Hα-helixtrans-62.8-36.1178.1-23.235000112.7I12P8-I12 WeakPolarHBondContact O-CD1 3.33Å; P8-I12 VanDerWaalsContact O-CG1 3.3Å; P8-I12 WeakPolarHBondContact O-CG1 3.43Å; P8-I12 PolarHBondContact O-N 3.46Å
9V91.2Very high88.6Confident21 Ų2155.6 Ų55.613%0.12731%0.305CS..Hα-helixtrans-75.2-41.8-178-177.80000111.1L5 P6 M7 A11 I12 Y13 W19 W29L5-V9 WeakPolarHBondContact O-CG2 3.18Å; P6-V9 PolarHBondContact O-N 3.3Å; M7-V9 VanDerWaalsContact C-N 3.28Å; M7-V9 PolarHBondContact O-N 3.49Å; V9-A11 VanDerWaalsContact C-N 3.33Å; V9-A11 PolarHBondContact O-N 3.11Å; V9-I12 PolarHBondContact O-N 3.36Å; V9-Y13 PolarHBondContact O-N 3.32Å; V9-W19 HydrophobicContact CG1-CH2 3.39Å; V9-W19 HydrophobicContact CG1-CZ3 3.73Å; V9-W29 HydrophobicContact CB-CG 4.23Å; V9-W29 HydrophobicContact CG1-CB 3.89Å; V9-W29 HydrophobicContact CG1-CD2 4.09Å; V9-W29 HydrophobicContact CG1-CG 3.78Å
10A89.6Confident88.4Confident2 Ų261.4 Ų61.42%0.01732%0.322CS..Hα-helixtrans-60.9-40.4171.100000112.1P6 Y13 E14 W29 L758 Y762P6-A10 WeakPolarHBondContact O-CB 3.36Å; P6-A10 PolarHBondContact O-N 3.23Å; A10-Y13 PolarHBondContact O-N 3.4Å; A10-E14 WeakPolarHBondContact O-CB 3.36Å; A10-E14 PolarHBondContact O-N 3.34Å; A10-W29 HydrophobicContact CB-CZ2 3.62Å; A10-L758 HydrophobicContact CB-CD2 4.27Å; A10-Y762 HydrophobicContact CB-CE2 3.7Å
11A91.4Very high88.3Confident26 Ų2660.5 Ų60.522%0.21532%0.318CS..Hα-helixtrans-66.2-35.3176.300000112.6M7 V9 I15 W759M7-A11 VanDerWaalsContact O-CB 3.31Å; M7-A11 WeakPolarHBondContact O-CB 3.32Å; M7-A11 PolarHBondContact O-N 3.38Å; V9-A11 VanDerWaalsContact C-N 3.33Å; V9-A11 PolarHBondContact O-N 3.11Å; A11-I15 WeakPolarHBondContact O-CB 3.25Å; A11-I15 WeakPolarHBondContact O-CD1 3.49Å; A11-I15 WeakPolarHBondContact O-CG1 3.49Å; A11-I15 PolarHBondContact O-N 3.23Å; A11-W759 HydrophobicContact CB-CH2 4.14Å; A11-W759 HydrophobicContact CB-CZ2 4.23Å
12I91.6Very high88.1Confident77 Ų7756.5 Ų56.540%0.39530%0.303SS..Hα-helixtrans-65.2-47172.9-69.5161.7000110.4P8 V9 E14 I15 S16 L21P8-I12 WeakPolarHBondContact O-CD1 3.33Å; P8-I12 VanDerWaalsContact O-CG1 3.3Å; P8-I12 WeakPolarHBondContact O-CG1 3.43Å; P8-I12 PolarHBondContact O-N 3.46Å; V9-I12 PolarHBondContact O-N 3.36Å; I12-E14 PolarHBondContact O-N 2.85Å; I12-I15 PolarHBondContact O-N 3.49Å; I12-I15 VanDerWaalsContact O-N 3.13Å; I12-S16 PolarHBondContact O-N 3.43Å; I12-S16 PolarHBondContact O-OG 2.95Å; I12-S16 VanDerWaalsContact O-OG 3.14Å; I12-L21 HydrophobicContact CG2-CD1 4.04Å
13Y88.7Confident87.7Confident57 Ų5758 Ų5822%0.22431%0.309CS..Hα-helixtrans-61.6-41.6178.8176.1-123.7000113.1V9 A10 I15 S16 E17 W19 W29V9-Y13 PolarHBondContact O-N 3.32Å; A10-Y13 PolarHBondContact O-N 3.4Å; Y13-I15 VanDerWaalsContact C-N 3.26Å; Y13-I15 PolarHBondContact O-N 2.78Å; Y13-S16 PolarHBondContact O-N 3.09Å; Y13-E17 PolarHBondContact O-N 3.45Å; Y13-E17 VanDerWaalsContact O-N 3.09Å; Y13-W19 HydrophobicContact CD2-CB 3.91Å; Y13-W19 HydrophobicContact CD2-CD2 4.5Å; Y13-W19 AromaticContact CD2-CE3 3.74Å; Y13-W19 HydrophobicContact CD2-CE3 3.74Å; Y13-W19 HydrophobicContact CE2-CB 3.76Å; Y13-W19 HydrophobicContact CE2-CE3 4.43Å; Y13-W19 AromaticContact CG-CE3 3.89Å; Y13-W19 HydrophobicContact CG-CE3 3.89Å; Y13-W19 HydrophobicContact CG-CZ3 4.44Å; Y13-W29 AromaticContact CD1-CH2 3.6Å; Y13-W29 HydrophobicContact CD1-CH2 3.6Å; Y13-W29 AromaticContact CD1-CZ3 3.86Å; Y13-W29 HydrophobicContact CD1-CZ3 3.86Å; Y13-W29 HydrophobicContact CE1-CH2 4.12Å; Y13-W29 HydrophobicContact CE1-CZ3 4.31Å; Y13-W29 HydrophobicContact CG-CH2 4.31Å; Y13-W29 HydrophobicContact CG-CZ3 4.24Å
14E87.3Confident87.5Confident81 Ų8159.1 Ų59.138%0.37932%0.319SS..Hα-helixtrans-61.7-33.6174.4-173.375-174.900112.2A10 I12 S755A10-E14 WeakPolarHBondContact O-CB 3.36Å; A10-E14 PolarHBondContact O-N 3.34Å; I12-E14 PolarHBondContact O-N 2.85Å; E14-S755 VanDerWaalsContact CD-OG 3.25Å; E14-S755 WeakPolarHBondContact OE1-CB 3.06Å; E14-S755 PolarHBondContact OE1-OG 2.95Å
15I90.7Very high87.4Confident145 Ų14558.5 Ų58.574%0.74431%0.312SS*.Hα-helixtrans-83.1-33.4-179.7-69.9167.6000112.3A11 I12 Y13A11-I15 WeakPolarHBondContact O-CB 3.25Å; A11-I15 WeakPolarHBondContact O-CD1 3.49Å; A11-I15 WeakPolarHBondContact O-CG1 3.49Å; A11-I15 PolarHBondContact O-N 3.23Å; I12-I15 PolarHBondContact O-N 3.49Å; I12-I15 VanDerWaalsContact O-N 3.13Å; Y13-I15 VanDerWaalsContact C-N 3.26Å; Y13-I15 PolarHBondContact O-N 2.78Å
16S87.4Confident87.2Confident39 Ų3955.9 Ų55.927%0.27330%0.298SS..Hα-helixtrans-84.4-12.1178.7580000114.1I12 Y13 D18I12-S16 PolarHBondContact O-N 3.43Å; I12-S16 PolarHBondContact O-OG 2.95Å; I12-S16 VanDerWaalsContact O-OG 3.14Å; Y13-S16 PolarHBondContact O-N 3.09Å; S16-D18 PolarHBondContact O-N 3.36Å; S16-D18 PolarHBondContact OG-O 3.34Å
17E81.7Confident86.9Confident119 Ų11957.7 Ų57.756%0.55631%0.308SS*.SBendtrans58.6-32.4-169.7-65.6-157.3-134.100115.9Y13 K751Y13-E17 PolarHBondContact O-N 3.45Å; Y13-E17 VanDerWaalsContact O-N 3.09Å; E17-K751 IonicContact OE2-NZ 2.87Å; E17-K751 PolarHBondContact OE2-NZ 2.91Å
18D81.6Confident86.8Confident65 Ų6561.3 Ų61.335%0.34832%0.323SS..SBendtrans-108.8150.8177.5-59.1-18.7000110.7S16 W20 P109S16-D18 PolarHBondContact O-N 3.36Å; S16-D18 PolarHBondContact OG-O 3.34Å; D18-W20 PolarHBondContact O-N 2.96Å; D18-P109 HydrophobicContact CB-CB 4.08Å; D18-P109 WeakPolarHBondContact OD1-CB 3.46Å; D18-P109 VanDerWaalsContact OD1-CG 3.27Å; D18-P109 WeakPolarHBondContact OD1-CG 3.35Å
19W83.8Confident86.6Confident1 Ų159.5 Ų59.50%0.00431%0.308CS..  trans-92.3100.4173.4-175.1-86.6000110.8V9 Y13 L21 G22 L25 C26 W29 Y97 P110 C112V9-W19 HydrophobicContact CG1-CH2 3.39Å; V9-W19 HydrophobicContact CG1-CZ3 3.73Å; Y13-W19 HydrophobicContact CD2-CB 3.91Å; Y13-W19 HydrophobicContact CD2-CD2 4.5Å; Y13-W19 AromaticContact CD2-CE3 3.74Å; Y13-W19 HydrophobicContact CD2-CE3 3.74Å; Y13-W19 HydrophobicContact CE2-CB 3.76Å; Y13-W19 HydrophobicContact CE2-CE3 4.43Å; Y13-W19 AromaticContact CG-CE3 3.89Å; Y13-W19 HydrophobicContact CG-CE3 3.89Å; Y13-W19 HydrophobicContact CG-CZ3 4.44Å; W19-L21 HydrophobicContact CD2-CB 4.48Å; W19-L21 HydrophobicContact CH2-CB 4.36Å; W19-L21 HydrophobicContact CH2-CD1 3.93Å; W19-L21 HydrophobicContact CZ2-CB 3.67Å; W19-L21 HydrophobicContact CZ2-CD1 4.08Å; W19-L21 HydrophobicContact CZ2-CG 4.46Å; W19-L21 HydrophobicContact CZ3-CD1 4.23Å; W19-G22 PolarHBondContact NE1-O 3.33Å; W19-L25 VanDerWaalsContact CZ2-C 3.47Å; W19-L25 HydrophobicContact CZ2-CB 3.86Å; W19-C26 VanDerWaalsContact CZ2-CA 3.49Å; W19-C26 HydrophobicContact CZ2-CB 3.81Å; W19-C26 VanDerWaalsContact CZ2-N 3.29Å; W19-W29 AromaticContact CE3-CE3 3.92Å; W19-W29 HydrophobicContact CE3-CE3 3.92Å; W19-W29 AromaticContact CE3-CZ3 3.88Å; W19-W29 HydrophobicContact CE3-CZ3 3.88Å; W19-W29 HydrophobicContact CH2-CB 4.23Å; W19-W29 HydrophobicContact CH2-CD2 4.3Å; W19-W29 AromaticContact CH2-CE3 3.67Å; W19-W29 HydrophobicContact CH2-CE3 3.67Å; W19-W29 HydrophobicContact CH2-CZ3 4.44Å; W19-W29 HydrophobicContact CZ3-CD2 4.07Å; W19-W29 AromaticContact CZ3-CE3 3.21Å; W19-W29 HydrophobicContact CZ3-CE3 3.21Å; W19-W29 AromaticContact CZ3-CZ3 3.57Å; W19-W29 HydrophobicContact CZ3-CZ3 3.57Å; W19-Y97 AromaticContact CD1-CE2 3.64Å; W19-Y97 AromaticContact CD1-CZ 3.8Å; W19-Y97 WeakPolarHBondContact O-CE2 3.46Å; W19-Y97 PolarHBondContact O-OH 2.94Å; W19-P110 WeakPolarHBondContact CA-O 3.43Å; W19-P110 WeakPolarHBondContact CB-O 3.07Å; W19-P110 PolarHBondContact N-O 2.94Å; W19-P110 WeakPolarHBondContact O-CB 3.5Å; W19-P110 WeakPolarHBondContact O-CG 3.46Å; W19-C112 HydrophobicContact CB-CB 4.1Å; W19-C112 HydrophobicContact CD2-CB 3.53Å; W19-C112 HydrophobicContact CE3-CB 3.72Å; W19-C112 HydrophobicContact CG-CB 3.66Å; W19-C112 HydrophobicContact CZ3-CB 4.4Å
20W84.8Confident86.4Confident172 Ų17259.3 Ų59.365%0.65231%0.307SS*.  trans-102.6-2.7179.562.2-82.8000114.3D18 G22 Y97D18-W20 PolarHBondContact O-N 2.96Å; W20-G22 VanDerWaalsContact C-N 3.29Å; W20-G22 PolarHBondContact O-N 3.29Å; W20-Y97 VanDerWaalsContact CA-OH 3.3Å; W20-Y97 WeakPolarHBondContact CA-OH 3.33Å
21L85.8Confident86.3Confident43 Ų4359.9 Ų59.923%0.22531%0.311CS..SBendtrans-80.54.3-169.8-65.5174.9000115.2I12 W19 L25 Y97I12-L21 HydrophobicContact CG2-CD1 4.04Å; W19-L21 HydrophobicContact CD2-CB 4.48Å; W19-L21 HydrophobicContact CH2-CB 4.36Å; W19-L21 HydrophobicContact CH2-CD1 3.93Å; W19-L21 HydrophobicContact CZ2-CB 3.67Å; W19-L21 HydrophobicContact CZ2-CD1 4.08Å; W19-L21 HydrophobicContact CZ2-CG 4.46Å; W19-L21 HydrophobicContact CZ3-CD1 4.23Å; L21-L25 HydrophobicContact CB-CB 4.12Å; L21-L25 HydrophobicContact CB-CD1 3.93Å; L21-L25 HydrophobicContact CD2-CD1 4.46Å; L21-Y97 PolarHBondContact N-OH 3.43Å
22G82.7Confident86.2Confident22 Ų2259.1 Ų59.123%0.22730%0.304CS..  trans87.6158.7-179.100000114.8W19 W20 A24 L25 C26 Y97W19-G22 PolarHBondContact NE1-O 3.33Å; W20-G22 VanDerWaalsContact C-N 3.29Å; W20-G22 PolarHBondContact O-N 3.29Å; G22-A24 PolarHBondContact O-N 3.46Å; G22-L25 PolarHBondContact O-N 3.24Å; G22-C26 PolarHBondContact O-N 3.35Å; G22-Y97 VanDerWaalsContact CA-CE1 3.42Å; G22-Y97 PolarHBondContact N-OH 3.27Å
23E80.5Confident86.1Confident53 Ų5356.2 Ų56.225%0.24829%0.289CS..Hα-helixtrans-58.2-44.5176.1-177.4170.7-127.400111.7L25 C26 D27 R93E23-L25 PolarHBondContact O-N 3.23Å; E23-C26 WeakPolarHBondContact O-CA 3.5Å; E23-C26 WeakPolarHBondContact O-CB 3.39Å; E23-C26 PolarHBondContact O-N 3.32Å; E23-D27 PolarHBondContact O-N 3.49Å; E23-R93 HydrophobicContact CG-CG 4.19Å; E23-R93 WeakPolarHBondContact OE1-CB 3.5Å; E23-R93 WeakPolarHBondContact OE1-CG 3.34Å
24A84.3Confident86Confident80 Ų8054.9 Ų54.966%0.66129%0.287SS*.Hα-helixtrans-61.5-36.6-17700000114.2G22 F28G22-A24 PolarHBondContact O-N 3.46Å; A24-F28 WeakPolarHBondContact O-CB 3.29Å; A24-F28 PolarHBondContact O-N 2.96Å
25L88.1Confident86.2Confident78 Ų7852.8 Ų52.841%0.40828%0.278SS..Hα-helixtrans-77.1-27.1174-79174.7000112.2W19 L21 G22 E23 F28 W29W19-L25 VanDerWaalsContact CZ2-C 3.47Å; W19-L25 HydrophobicContact CZ2-CB 3.86Å; L21-L25 HydrophobicContact CB-CB 4.12Å; L21-L25 HydrophobicContact CB-CD1 3.93Å; L21-L25 HydrophobicContact CD2-CD1 4.46Å; G22-L25 PolarHBondContact O-N 3.24Å; E23-L25 PolarHBondContact O-N 3.23Å; L25-F28 HydrophobicContact CD2-CD1 4.44Å; L25-W29 VanDerWaalsContact O-CB 3.3Å; L25-W29 WeakPolarHBondContact O-CB 3.31Å; L25-W29 PolarHBondContact O-N 3.44Å
26C86.8Confident86.2Confident4 Ų446.2 Ų46.23%0.02725%0.245CC..Hα-helixtrans-70.9-43.4174.8177.10000111W19 G22 E23 W29 V30 R93 C112W19-C26 VanDerWaalsContact CZ2-CA 3.49Å; W19-C26 HydrophobicContact CZ2-CB 3.81Å; W19-C26 VanDerWaalsContact CZ2-N 3.29Å; G22-C26 PolarHBondContact O-N 3.35Å; E23-C26 WeakPolarHBondContact O-CA 3.5Å; E23-C26 WeakPolarHBondContact O-CB 3.39Å; E23-C26 PolarHBondContact O-N 3.32Å; C26-W29 PolarHBondContact O-N 3.26Å; C26-V30 WeakPolarHBondContact O-CB 3.37Å; C26-V30 WeakPolarHBondContact O-CG2 3.4Å; C26-V30 PolarHBondContact O-N 2.75Å; C26-R93 PolarHBondContact SG-NH1 3.25Å; C26-R93 PolarHBondContact SG-NH2 2.92Å; C26-C112 WeakPolarHBondContact CA-SG 3.34Å; C26-C112 HydrophobicContact CB-CB 3.94Å; C26-C112 WeakPolarHBondContact CB-SG 3.5Å; C26-C112 WeakPolarHBondContact SG-CA 3.28Å; C26-C112 WeakPolarHBondContact SG-CB 3.32Å; C26-C112 CovalentContact SG-SG 2.03Å; C26-C112 PolarHBondContact SG-SG 3.22Å
27D84.7Confident86.3Confident39 Ų3944.5 Ų44.521%0.20923%0.233CC..Hα-helixtrans-58-49.4169.4-80.413.5000111.2E23 W29 C31 R93E23-D27 PolarHBondContact O-N 3.49Å; D27-W29 PolarHBondContact O-N 3.34Å; D27-C31 VanDerWaalsContact O-CB 3.23Å; D27-C31 WeakPolarHBondContact O-CB 3.48Å; D27-C31 PolarHBondContact O-N 2.78Å; D27-C31 PolarHBondContact O-SG 3.29Å; D27-R93 IonicContact OD1-CZ 2.64Å; D27-R93 IonicContact OD1-NH1 2.63Å; D27-R93 PolarHBondContact OD1-NH1 3.19Å
28F87.2Confident86.7Confident103 Ų10339 Ų3945%0.45221%0.207SC..Hα-helixtrans-59.1-46.6177.4175.1-99.7000112L5 A24 L25 S32L5-F28 HydrophobicContact CD2-CZ 4.42Å; A24-F28 WeakPolarHBondContact O-CB 3.29Å; A24-F28 PolarHBondContact O-N 2.96Å; L25-F28 HydrophobicContact CD2-CD1 4.44Å; F28-S32 WeakPolarHBondContact O-CB 3.4Å; F28-S32 PolarHBondContact O-N 3.06Å
29W89.3Confident87.2Confident23 Ų2336 Ų369%0.08719%0.192CC..Hα-helixtrans-61-54.4179.617729.1000111.7V9 A10 Y13 W19 L25 C26 D27 C31 S32 D33 C112V9-W29 HydrophobicContact CB-CG 4.23Å; V9-W29 HydrophobicContact CG1-CB 3.89Å; V9-W29 HydrophobicContact CG1-CD2 4.09Å; V9-W29 HydrophobicContact CG1-CG 3.78Å; A10-W29 HydrophobicContact CB-CZ2 3.62Å; Y13-W29 AromaticContact CD1-CH2 3.6Å; Y13-W29 HydrophobicContact CD1-CH2 3.6Å; Y13-W29 AromaticContact CD1-CZ3 3.86Å; Y13-W29 HydrophobicContact CD1-CZ3 3.86Å; Y13-W29 HydrophobicContact CE1-CH2 4.12Å; Y13-W29 HydrophobicContact CE1-CZ3 4.31Å; Y13-W29 HydrophobicContact CG-CH2 4.31Å; Y13-W29 HydrophobicContact CG-CZ3 4.24Å; W19-W29 AromaticContact CE3-CE3 3.92Å; W19-W29 HydrophobicContact CE3-CE3 3.92Å; W19-W29 AromaticContact CE3-CZ3 3.88Å; W19-W29 HydrophobicContact CE3-CZ3 3.88Å; W19-W29 HydrophobicContact CH2-CB 4.23Å; W19-W29 HydrophobicContact CH2-CD2 4.3Å; W19-W29 AromaticContact CH2-CE3 3.67Å; W19-W29 HydrophobicContact CH2-CE3 3.67Å; W19-W29 HydrophobicContact CH2-CZ3 4.44Å; W19-W29 HydrophobicContact CZ3-CD2 4.07Å; W19-W29 AromaticContact CZ3-CE3 3.21Å; W19-W29 HydrophobicContact CZ3-CE3 3.21Å; W19-W29 AromaticContact CZ3-CZ3 3.57Å; W19-W29 HydrophobicContact CZ3-CZ3 3.57Å; L25-W29 VanDerWaalsContact O-CB 3.3Å; L25-W29 WeakPolarHBondContact O-CB 3.31Å; L25-W29 PolarHBondContact O-N 3.44Å; C26-W29 PolarHBondContact O-N 3.26Å; D27-W29 PolarHBondContact O-N 3.34Å; W29-C31 PolarHBondContact O-N 2.8Å; W29-S32 PolarHBondContact O-N 3.04Å; W29-D33 WeakPolarHBondContact O-CB 3.47Å; W29-D33 PolarHBondContact O-N 2.8Å; W29-C112 HydrophobicContact CE3-CB 4.21Å; W29-C112 VanDerWaalsContact CE3-SG 3.58Å; W29-C112 HydrophobicContact CZ3-CB 3.99Å
30V86.1Confident87.6Confident16 Ų1637.8 Ų37.810%0.09721%0.205CC..Hα-helixtrans-61.2-45-178.8172.50000111.1C26 S32 D33 V34 A87 I114C26-V30 WeakPolarHBondContact O-CB 3.37Å; C26-V30 WeakPolarHBondContact O-CG2 3.4Å; C26-V30 PolarHBondContact O-N 2.75Å; V30-S32 PolarHBondContact O-N 3.15Å; V30-D33 PolarHBondContact O-N 2.94Å; V30-V34 HydrophobicContact CG1-CG2 4.46Å; V30-V34 WeakPolarHBondContact O-CB 3.27Å; V30-V34 VanDerWaalsContact O-CG2 3.29Å; V30-V34 WeakPolarHBondContact O-CG2 3.49Å; V30-V34 PolarHBondContact O-N 3.1Å; V30-A87 HydrophobicContact CG1-CB 4.27Å; V30-I114 HydrophobicContact CG1-CB 4.33Å; V30-I114 HydrophobicContact CG1-CD1 3.87Å; V30-I114 HydrophobicContact CG1-CG1 3.91Å
31C88.4Confident87.9Confident15 Ų1529.8 Ų29.810%0.10117%0.174CC..Hα-helixtrans-67-38.6179.4-64.40000112.2D27 W29 L35 S84 R88D27-C31 VanDerWaalsContact O-CB 3.23Å; D27-C31 WeakPolarHBondContact O-CB 3.48Å; D27-C31 PolarHBondContact O-N 2.78Å; D27-C31 PolarHBondContact O-SG 3.29Å; W29-C31 PolarHBondContact O-N 2.8Å; C31-L35 WeakPolarHBondContact O-CB 3.18Å; C31-L35 PolarHBondContact O-N 3.11Å; C31-S84 PolarHBondContact O-OG 2.82Å; C31-R88 WeakPolarHBondContact SG-CG 3.33Å
32S89.6Confident88.3Confident9 Ų928.8 Ų28.86%0.06317%0.169CC..Hα-helixtrans-67.7-39.9178-175.90000112.2L5 F28 W29 V30 C36L5-S32 WeakPolarHBondContact CB-OG 3.18Å; F28-S32 WeakPolarHBondContact O-CB 3.4Å; F28-S32 PolarHBondContact O-N 3.06Å; W29-S32 PolarHBondContact O-N 3.04Å; V30-S32 PolarHBondContact O-N 3.15Å; S32-C36 VanDerWaalsContact O-CB 3.29Å; S32-C36 WeakPolarHBondContact O-CB 3.35Å; S32-C36 PolarHBondContact O-N 3.02Å; S32-C36 PolarHBondContact O-SG 2.87Å
33D88.7Confident88.8Confident16 Ų1630.1 Ų30.19%0.08617%0.169CC..Hα-helixtrans-65.1-55.8174.1-16491.1000110.7P6 W29 V30 L35 C36 C37 Y762P6-D33 HydrophobicContact CB-CB 3.88Å; P6-D33 VanDerWaalsContact CB-OD1 3.31Å; P6-D33 WeakPolarHBondContact CB-OD1 3.36Å; P6-D33 HydrophobicContact CG-CB 4.38Å; W29-D33 WeakPolarHBondContact O-CB 3.47Å; W29-D33 PolarHBondContact O-N 2.8Å; V30-D33 PolarHBondContact O-N 2.94Å; D33-L35 VanDerWaalsContact C-N 3.26Å; D33-L35 PolarHBondContact O-N 3.45Å; D33-C36 PolarHBondContact O-N 3.31Å; D33-C37 WeakPolarHBondContact O-CB 3.49Å; D33-C37 PolarHBondContact O-N 3.47Å; D33-C37 PolarHBondContact O-SG 2.89Å; D33-C37 PolarHBondContact OD2-SG 3.46Å; D33-C37 VanDerWaalsContact OD2-SG 3.35Å; D33-Y762 WeakPolarHBondContact OD1-CE1 3.36Å; D33-Y762 PolarHBondContact OD1-OH 3.21Å
34V87.5Confident89.5Confident29 Ų2928.4 Ų28.418%0.17616%0.162CC..Hα-helixtrans-54.8-41.6177.21730000111.6V30 T38 I114V30-V34 HydrophobicContact CG1-CG2 4.46Å; V30-V34 WeakPolarHBondContact O-CB 3.27Å; V30-V34 VanDerWaalsContact O-CG2 3.29Å; V30-V34 WeakPolarHBondContact O-CG2 3.49Å; V30-V34 PolarHBondContact O-N 3.1Å; V34-T38 VanDerWaalsContact O-CB 3.22Å; V34-T38 WeakPolarHBondContact O-CB 3.37Å; V34-T38 PolarHBondContact O-N 3.48Å; V34-T38 PolarHBondContact O-OG1 3.15Å; V34-I114 HydrophobicContact CG2-CD1 4.39Å
35L91.1Very high90Very high38 Ų3825.1 Ų25.120%0.19913%0.133CC..Hα-helixtrans-63.2-49.8175.4176.462.5000111.8C31 D33 A39 W77 V81C31-L35 WeakPolarHBondContact O-CB 3.18Å; C31-L35 PolarHBondContact O-N 3.11Å; D33-L35 VanDerWaalsContact C-N 3.26Å; D33-L35 PolarHBondContact O-N 3.45Å; L35-A39 WeakPolarHBondContact O-CB 3.47Å; L35-A39 PolarHBondContact O-N 3.46Å; L35-W77 HydrophobicContact CD1-CE3 4.45Å; L35-W77 HydrophobicContact CD1-CZ3 4.29Å; L35-W77 HydrophobicContact CG-CZ3 4.37Å; L35-V81 HydrophobicContact CD1-CB 4.49Å; L35-V81 HydrophobicContact CD1-CG2 3.72Å
36C90.9Very high90.3Very high6 Ų621.7 Ų21.74%0.04112%0.117CC..Hα-helixtrans-66-39.6-178.2-71.60000112.2V2 S32 D33 S40V2-C36 HydrophobicContact CG2-CB 3.78Å; S32-C36 VanDerWaalsContact O-CB 3.29Å; S32-C36 WeakPolarHBondContact O-CB 3.35Å; S32-C36 PolarHBondContact O-N 3.02Å; S32-C36 PolarHBondContact O-SG 2.87Å; D33-C36 PolarHBondContact O-N 3.31Å; C36-S40 WeakPolarHBondContact O-CB 3.48Å; C36-S40 PolarHBondContact O-N 2.99Å
37C87.9Confident90.7Very high4 Ų424.7 Ų24.73%0.02713%0.132CC..Hα-helixtrans-67.2-51.5178.6-66.90000110.9D33 A39 S40 I41 W731D33-C37 WeakPolarHBondContact O-CB 3.49Å; D33-C37 PolarHBondContact O-N 3.47Å; D33-C37 PolarHBondContact O-SG 2.89Å; D33-C37 PolarHBondContact OD2-SG 3.46Å; D33-C37 VanDerWaalsContact OD2-SG 3.35Å; C37-A39 VanDerWaalsContact C-N 3.33Å; C37-A39 PolarHBondContact O-N 2.82Å; C37-S40 PolarHBondContact O-N 3.01Å; C37-I41 VanDerWaalsContact O-CG1 3.3Å; C37-I41 WeakPolarHBondContact O-CG1 3.36Å; C37-I41 PolarHBondContact O-N 3.27Å; C37-W731 WeakPolarHBondContact SG-CH2 3.39Å; C37-W731 VanDerWaalsContact SG-CZ2 3.58Å
38T90.6Very high91.1Very high2 Ų222.8 Ų22.81%0.01212%0.122CC..Hα-helixtrans-60.4-42.2175.9-52.70000111.5V34 S40 I41 L42 I83V34-T38 VanDerWaalsContact O-CB 3.22Å; V34-T38 WeakPolarHBondContact O-CB 3.37Å; V34-T38 PolarHBondContact O-N 3.48Å; V34-T38 PolarHBondContact O-OG1 3.15Å; T38-S40 PolarHBondContact O-N 3.27Å; T38-I41 PolarHBondContact O-N 2.92Å; T38-L42 HydrophobicContact CG2-CD1 4.05Å; T38-L42 HydrophobicContact CG2-CG 4.31Å; T38-L42 WeakPolarHBondContact O-CG 3.39Å; T38-L42 PolarHBondContact O-N 3.08Å; T38-I83 HydrophobicContact CG2-CB 4.14Å; T38-I83 HydrophobicContact CG2-CD1 3.78Å; T38-I83 HydrophobicContact CG2-CG2 4.1Å
39A93Very high91.5Very high4 Ų419.5 Ų19.53%0.03311%0.109CC..Hα-helixtrans-62.7-44.417700000111.9L35 C37 I41 L42 H43 W77 S80L35-A39 WeakPolarHBondContact O-CB 3.47Å; L35-A39 PolarHBondContact O-N 3.46Å; C37-A39 VanDerWaalsContact C-N 3.33Å; C37-A39 PolarHBondContact O-N 2.82Å; A39-I41 VanDerWaalsContact C-N 3.31Å; A39-I41 PolarHBondContact O-N 3.28Å; A39-L42 PolarHBondContact O-N 3.24Å; A39-H43 WeakPolarHBondContact O-CB 3.49Å; A39-H43 PolarHBondContact O-N 3.16Å; A39-H43 PolarHBondContact O-ND1 2.79Å; A39-W77 HydrophobicContact CB-CE3 4.22Å; A39-W77 HydrophobicContact CB-CH2 3.77Å; A39-W77 HydrophobicContact CB-CZ2 4.35Å; A39-W77 HydrophobicContact CB-CZ3 3.71Å; A39-S80 WeakPolarHBondContact CA-OG 3.29Å; A39-S80 PolarHBondContact N-OG 3.18Å
40S91.6Very high91.8Very high38 Ų3819.2 Ų19.227%0.26611%0.109SC..Hα-helixtrans-58.1-44.7175.9-173.80000111.5C36 C37 T38 H43 L44 F727C36-S40 WeakPolarHBondContact O-CB 3.48Å; C36-S40 PolarHBondContact O-N 2.99Å; C37-S40 PolarHBondContact O-N 3.01Å; T38-S40 PolarHBondContact O-N 3.27Å; S40-H43 PolarHBondContact O-N 2.73Å; S40-L44 WeakPolarHBondContact O-CG 3.34Å; S40-L44 PolarHBondContact O-N 3.35Å; S40-F727 WeakPolarHBondContact OG-CE2 3.38Å
41I91.7Very high92.1Very high4 Ų421.9 Ų21.92%0.02112%0.117CC..Hα-helixtrans-66.6-48.1-178.9-68.3166.8000111.4C37 T38 A39 H43 L44 V45 A128 F129 P132 F727C37-I41 VanDerWaalsContact O-CG1 3.3Å; C37-I41 WeakPolarHBondContact O-CG1 3.36Å; C37-I41 PolarHBondContact O-N 3.27Å; T38-I41 PolarHBondContact O-N 2.92Å; A39-I41 VanDerWaalsContact C-N 3.31Å; A39-I41 PolarHBondContact O-N 3.28Å; I41-H43 VanDerWaalsContact C-N 3.29Å; I41-H43 PolarHBondContact O-N 3.47Å; I41-L44 WeakPolarHBondContact O-CA 3.35Å; I41-L44 WeakPolarHBondContact O-CB 3.31Å; I41-L44 PolarHBondContact O-N 3.46Å; I41-L44 VanDerWaalsContact O-N 3.07Å; I41-V45 PolarHBondContact O-N 3.05Å; I41-A128 WeakPolarHBondContact CD1-O 3.49Å; I41-F129 HydrophobicContact CD1-CB 4.48Å; I41-F129 HydrophobicContact CD1-CD2 3.87Å; I41-P132 HydrophobicContact CG2-CB 3.24Å; I41-P132 HydrophobicContact CG2-CG 3.85Å; I41-F727 HydrophobicContact CD1-CE1 3.94Å; I41-F727 HydrophobicContact CD1-CZ 3.99Å; I41-F727 HydrophobicContact CG1-CE1 3.38Å; I41-F727 HydrophobicContact CG1-CZ 3.44Å; I41-F727 VanDerWaalsContact CG1-CZ 3.44Å
42L93.4Very high92.3Very high22 Ų2224.7 Ų24.712%0.11513%0.127CC..Hα-helixtrans-66.3-30177.5-66.5-178.3000112.7T38 A39 V45 G46 F76 L79T38-L42 HydrophobicContact CG2-CD1 4.05Å; T38-L42 HydrophobicContact CG2-CG 4.31Å; T38-L42 WeakPolarHBondContact O-CG 3.39Å; T38-L42 PolarHBondContact O-N 3.08Å; A39-L42 PolarHBondContact O-N 3.24Å; L42-V45 HydrophobicContact CD2-CG2 4.49Å; L42-V45 WeakPolarHBondContact O-CB 3.48Å; L42-V45 PolarHBondContact O-N 2.74Å; L42-G46 PolarHBondContact O-N 3.42Å; L42-F76 HydrophobicContact CB-CB 3.93Å; L42-F76 HydrophobicContact CB-CD1 4.03Å; L42-F76 HydrophobicContact CB-CG 4.13Å; L42-L79 HydrophobicContact CD1-CB 3.62Å; L42-L79 HydrophobicContact CD1-CD1 4.44Å
43H94.2Very high92.6Very high50 Ų5029.1 Ų29.123%0.23114%0.142CC..Hα-helixtrans-68.5-36.2170-77.578.7000112.2A39 S40 I41 G46 I47 W77A39-H43 WeakPolarHBondContact O-CB 3.49Å; A39-H43 PolarHBondContact O-N 3.16Å; A39-H43 PolarHBondContact O-ND1 2.79Å; S40-H43 PolarHBondContact O-N 2.73Å; I41-H43 VanDerWaalsContact C-N 3.29Å; I41-H43 PolarHBondContact O-N 3.47Å; H43-G46 PolarHBondContact O-N 3.44Å; H43-I47 WeakPolarHBondContact O-CD1 3.48Å; H43-I47 VanDerWaalsContact O-CG1 3.25Å; H43-I47 WeakPolarHBondContact O-CG1 3.42Å; H43-I47 PolarHBondContact O-N 3.44Å; H43-W77 AromaticContact CE1-CD1 3.95Å; H43-W77 AromaticContact CE1-CE2 3.86Å; H43-W77 AromaticContact CE1-NE1 3.5Å; H43-W77 AromaticContact NE2-NE1 3.72Å
44L93.6Very high92.7Very high16 Ų1629.1 Ų29.18%0.08414%0.144CC..Hα-helixtrans-64.4-40.8170.9-70.8172.4000112S40 I41 G46 I47 A48 I136 I723 F727S40-L44 WeakPolarHBondContact O-CG 3.34Å; S40-L44 PolarHBondContact O-N 3.35Å; I41-L44 WeakPolarHBondContact O-CA 3.35Å; I41-L44 WeakPolarHBondContact O-CB 3.31Å; I41-L44 PolarHBondContact O-N 3.46Å; I41-L44 VanDerWaalsContact O-N 3.07Å; L44-G46 PolarHBondContact O-N 3.46Å; L44-I47 PolarHBondContact O-N 2.98Å; L44-A48 WeakPolarHBondContact O-CB 3.45Å; L44-A48 PolarHBondContact O-N 3.13Å; L44-I136 HydrophobicContact CB-CD1 3.95Å; L44-I723 HydrophobicContact CD2-CG2 4.5Å; L44-F727 HydrophobicContact CD1-CB 3.88Å; L44-F727 HydrophobicContact CD1-CD1 3.71Å; L44-F727 HydrophobicContact CD1-CD2 4.05Å; L44-F727 HydrophobicContact CD1-CE1 4.37Å; L44-F727 HydrophobicContact CD1-CG 3.56Å
45V95.2Very high92.8Very high11 Ų1128.8 Ų28.87%0.06714%0.142CC..Hα-helixtrans-56.2-49.8169.9177.90000110.6I41 L42 I47 A48 L49 P132 F135 I136I41-V45 PolarHBondContact O-N 3.05Å; L42-V45 HydrophobicContact CD2-CG2 4.49Å; L42-V45 WeakPolarHBondContact O-CB 3.48Å; L42-V45 PolarHBondContact O-N 2.74Å; V45-I47 PolarHBondContact O-N 3.37Å; V45-A48 PolarHBondContact O-N 3.5Å; V45-L49 HydrophobicContact CG1-CD1 3.96Å; V45-L49 HydrophobicContact CG1-CG 4.4Å; V45-L49 WeakPolarHBondContact O-CG 3.49Å; V45-L49 PolarHBondContact O-N 2.98Å; V45-P132 HydrophobicContact CG2-CB 4.16Å; V45-F135 HydrophobicContact CG1-CD1 3.74Å; V45-F135 HydrophobicContact CG1-CE1 3.66Å; V45-F135 HydrophobicContact CG2-CD1 4.49Å; V45-I136 HydrophobicContact CB-CG1 4.4Å; V45-I136 HydrophobicContact CG2-CD1 3.78Å; V45-I136 HydrophobicContact CG2-CG1 3.7Å
46G95.3Very high92.8Very high7 Ų729.2 Ų29.27%0.07215%0.146CC..Hα-helixtrans-60.2-41.9-179.900000113.9L42 H43 L44 L49 D50 F76L42-G46 PolarHBondContact O-N 3.42Å; H43-G46 PolarHBondContact O-N 3.44Å; L44-G46 PolarHBondContact O-N 3.46Å; G46-L49 PolarHBondContact O-N 3.49Å; G46-D50 PolarHBondContact O-N 3.26Å; G46-F76 VanDerWaalsContact CA-CE2 3.47Å; G46-F76 VanDerWaalsContact CA-CZ 3.47Å
47I94.1Very high92.7Very high66 Ų6632.9 Ų32.934%0.33817%0.166SC..Hα-helixtrans-65.9-44.4175.3-69.1163000110.5H43 L44 V45 L49 D50 R51 L720H43-I47 WeakPolarHBondContact O-CD1 3.48Å; H43-I47 VanDerWaalsContact O-CG1 3.25Å; H43-I47 WeakPolarHBondContact O-CG1 3.42Å; H43-I47 PolarHBondContact O-N 3.44Å; L44-I47 PolarHBondContact O-N 2.98Å; V45-I47 PolarHBondContact O-N 3.37Å; I47-L49 VanDerWaalsContact C-N 3.34Å; I47-L49 PolarHBondContact O-N 2.95Å; I47-D50 PolarHBondContact O-N 2.92Å; I47-R51 HydrophobicContact CG2-CG 4.49Å; I47-R51 WeakPolarHBondContact O-CB 3.41Å; I47-R51 WeakPolarHBondContact O-CG 3.43Å; I47-R51 PolarHBondContact O-N 2.86Å; I47-L720 HydrophobicContact CG2-CD1 3.96Å; I47-L720 HydrophobicContact CG2-CD2 3.94Å; I47-L720 HydrophobicContact CG2-CG 4.48Å
48A94.8Very high92.6Very high0 Ų035.9 Ų35.90%019%0.191CC..Hα-helixtrans-61-41.7177.400000111.7L44 V45 R51 Y52 I139 Y140L44-A48 WeakPolarHBondContact O-CB 3.45Å; L44-A48 PolarHBondContact O-N 3.13Å; V45-A48 PolarHBondContact O-N 3.5Å; A48-R51 PolarHBondContact O-N 3.38Å; A48-Y52 WeakPolarHBondContact O-CB 3.26Å; A48-Y52 PolarHBondContact O-N 3.41Å; A48-I139 HydrophobicContact CB-CB 4.25Å; A48-I139 HydrophobicContact CB-CD1 4.24Å; A48-I139 HydrophobicContact CB-CG2 3.78Å; A48-I139 WeakPolarHBondContact O-CG2 3.26Å; A48-Y140 HydrophobicContact CB-CE2 4.05Å
49L95.1Very high92.6Very high33 Ų3338.2 Ų38.217%0.17320%0.202CC..Hα-helixtrans-65.5-45.4175.1-72.6172.8000113V45 G46 I47 R51 Y52 W53 F135 I139V45-L49 HydrophobicContact CG1-CD1 3.96Å; V45-L49 HydrophobicContact CG1-CG 4.4Å; V45-L49 WeakPolarHBondContact O-CG 3.49Å; V45-L49 PolarHBondContact O-N 2.98Å; G46-L49 PolarHBondContact O-N 3.49Å; I47-L49 VanDerWaalsContact C-N 3.34Å; I47-L49 PolarHBondContact O-N 2.95Å; L49-R51 VanDerWaalsContact C-N 3.31Å; L49-R51 PolarHBondContact O-N 2.93Å; L49-Y52 PolarHBondContact O-N 2.84Å; L49-W53 HydrophobicContact CB-CE3 4.38Å; L49-W53 HydrophobicContact CB-CH2 4.37Å; L49-W53 HydrophobicContact CB-CZ3 4.17Å; L49-W53 PolarHBondContact O-N 3.04Å; L49-F135 HydrophobicContact CD1-CE1 4.42Å; L49-F135 HydrophobicContact CD2-CE1 4.39Å; L49-F135 HydrophobicContact CD2-CZ 4.34Å; L49-I139 HydrophobicContact CD2-CD1 3.69Å; L49-I139 HydrophobicContact CD2-CG1 4.48Å; L49-I139 HydrophobicContact CG-CD1 3.96Å
50D94.1Very high92.5Very high17 Ų1739.8 Ų39.89%0.09121%0.207CC..Hα-helixtrans-59.1-42174168.687.3000111.5G46 I47 A54 Y60 R64G46-D50 PolarHBondContact O-N 3.26Å; I47-D50 PolarHBondContact O-N 2.92Å; D50-A54 WeakPolarHBondContact O-CB 3.42Å; D50-A54 PolarHBondContact O-N 3.02Å; D50-Y60 PolarHBondContact OD1-OH 2.7Å; D50-R64 VanDerWaalsContact CG-NH1 3.33Å; D50-R64 WeakPolarHBondContact OD1-CD 3.3Å; D50-R64 IonicContact OD1-CZ 3.47Å; D50-R64 IonicContact OD1-NE 3.43Å; D50-R64 IonicContact OD1-NH1 3.14Å; D50-R64 PolarHBondContact OD1-NH1 3.35Å; D50-R64 IonicContact OD2-NH1 3.53Å; D50-R64 PolarHBondContact OD2-NH1 3.01Å; D50-R64 VanDerWaalsContact OD2-NH1 3.14Å
51R92.8Very high92.3Very high72 Ų7241.8 Ų41.827%0.27221%0.214SC..Hα-helixtrans-65.3-41.7173.5-69.9-53.8101138.311.1112.4I47 A48 L49 A54 V55 I143 L720I47-R51 HydrophobicContact CG2-CG 4.49Å; I47-R51 WeakPolarHBondContact O-CB 3.41Å; I47-R51 WeakPolarHBondContact O-CG 3.43Å; I47-R51 PolarHBondContact O-N 2.86Å; A48-R51 PolarHBondContact O-N 3.38Å; L49-R51 VanDerWaalsContact C-N 3.31Å; L49-R51 PolarHBondContact O-N 2.93Å; R51-A54 PolarHBondContact O-N 3.31Å; R51-V55 WeakPolarHBondContact O-CB 3.43Å; R51-V55 VanDerWaalsContact O-CG2 3.31Å; R51-V55 WeakPolarHBondContact O-CG2 3.16Å; R51-V55 PolarHBondContact O-N 3Å; R51-I143 HydrophobicContact CB-CD1 3.88Å; R51-L720 HydrophobicContact CG-CD1 3.59Å
52Y94.1Very high92.2Very high75 Ų7547 Ų4729%0.29423%0.233SC..Hα-helixtrans-63.3-45178.5177.1-108.1000112.1A48 L49 T56 I139 R142 I143A48-Y52 WeakPolarHBondContact O-CB 3.26Å; A48-Y52 PolarHBondContact O-N 3.41Å; L49-Y52 PolarHBondContact O-N 2.84Å; Y52-T56 HydrophobicContact CD2-CG2 3.96Å; Y52-T56 HydrophobicContact CE1-CG2 4.27Å; Y52-T56 HydrophobicContact CE2-CG2 3.5Å; Y52-T56 WeakPolarHBondContact O-CB 3.34Å; Y52-T56 WeakPolarHBondContact O-CG2 3.42Å; Y52-T56 PolarHBondContact O-N 2.94Å; Y52-T56 PolarHBondContact O-OG1 3.1Å; Y52-I139 HydrophobicContact CG-CG2 4.38Å; Y52-R142 HydrophobicContact CD2-CB 4.27Å; Y52-R142 HydrophobicContact CE2-CB 3.85Å; Y52-I143 HydrophobicContact CD2-CG1 4.06Å
53W94.2Very high92Very high101 Ų10153.6 Ų53.638%0.38326%0.257SS..Hα-helixtrans-70.5-38.2176.1-66.4-38.9000112.8L49 T56 N57 Y60 M72L49-W53 HydrophobicContact CB-CE3 4.38Å; L49-W53 HydrophobicContact CB-CH2 4.37Å; L49-W53 HydrophobicContact CB-CZ3 4.17Å; L49-W53 PolarHBondContact O-N 3.04Å; W53-T56 WeakPolarHBondContact CA-OG1 3.34Å; W53-N57 PolarHBondContact O-N 2.75Å; W53-Y60 HydrophobicContact CB-CD1 3.72Å; W53-Y60 HydrophobicContact CB-CD2 3.68Å; W53-Y60 HydrophobicContact CB-CE1 3.89Å; W53-Y60 HydrophobicContact CB-CE2 3.85Å; W53-Y60 HydrophobicContact CB-CG 3.62Å; W53-Y60 HydrophobicContact CD2-CE2 4.15Å; W53-Y60 HydrophobicContact CE3-CD2 4.48Å; W53-Y60 AromaticContact CE3-CE2 3.65Å; W53-Y60 HydrophobicContact CE3-CE2 3.65Å; W53-Y60 AromaticContact CE3-CZ 3.8Å; W53-Y60 HydrophobicContact CG-CD2 4.32Å; W53-Y60 HydrophobicContact CG-CE2 4.3Å; W53-Y60 HydrophobicContact CZ3-CE2 4.48Å; W53-M72 HydrophobicContact CZ3-CE 4.01Å; W53-M72 HydrophobicContact CZ3-SD 4.3Å
54A91.4Very high91.9Very high17 Ų1755.5 Ų55.514%0.1426%0.262CS..Hα-helixtrans-62.9-4217400000112.2D50 R51 Y60 I61D50-A54 WeakPolarHBondContact O-CB 3.42Å; D50-A54 PolarHBondContact O-N 3.02Å; R51-A54 PolarHBondContact O-N 3.31Å; A54-Y60 HydrophobicContact CB-CD1 4.22Å; A54-Y60 HydrophobicContact CB-CE1 4.49Å; A54-I61 HydrophobicContact CB-CD1 4.05Å; A54-I61 HydrophobicContact CB-CG1 3.75Å; A54-I61 WeakPolarHBondContact O-CD1 3.48Å
55V89.6Confident91.9Very high21 Ų2158.1 Ų58.113%0.12728%0.279CS..Hα-helixtrans-67.6-58.8174.5169.80000110R51 N57 I143 V146 R150 I717R51-V55 WeakPolarHBondContact O-CB 3.43Å; R51-V55 VanDerWaalsContact O-CG2 3.31Å; R51-V55 WeakPolarHBondContact O-CG2 3.16Å; R51-V55 PolarHBondContact O-N 3Å; V55-N57 PolarHBondContact O-N 2.8Å; V55-I143 HydrophobicContact CG2-CG2 4.33Å; V55-V146 HydrophobicContact CG1-CB 4.27Å; V55-V146 HydrophobicContact CG1-CG1 3.77Å; V55-R150 PolarHBondContact O-NH1 3.21Å; V55-R150 PolarHBondContact O-NH2 2.9Å; V55-I717 HydrophobicContact CG2-CD1 3.74Å
56T91.2Very high91.8Very high47 Ų4760.5 Ų60.529%0.28831%0.305SS..Hα-helixtrans-61.1-42.4-173.950.60000113Y52 W53 V146 R150Y52-T56 HydrophobicContact CD2-CG2 3.96Å; Y52-T56 HydrophobicContact CE1-CG2 4.27Å; Y52-T56 HydrophobicContact CE2-CG2 3.5Å; Y52-T56 WeakPolarHBondContact O-CB 3.34Å; Y52-T56 WeakPolarHBondContact O-CG2 3.42Å; Y52-T56 PolarHBondContact O-N 2.94Å; Y52-T56 PolarHBondContact O-OG1 3.1Å; W53-T56 WeakPolarHBondContact CA-OG1 3.34Å; T56-V146 HydrophobicContact CG2-CG1 4.49Å; T56-V146 HydrophobicContact CG2-CG2 4.29Å; T56-R150 PolarHBondContact O-NH2 3.37Å
57N88.6Confident91.8Very high83 Ų8370 Ų7044%0.44434%0.338SS..  trans-127.4107.5-171.3-172.5-5.7000113.1W53 V55 E59 Y60W53-N57 PolarHBondContact O-N 2.75Å; V55-N57 PolarHBondContact O-N 2.8Å; N57-E59 PolarHBondContact O-N 2.69Å; N57-E59 VanDerWaalsContact O-N 3.16Å; N57-E59 WeakPolarHBondContact OD1-CA 3.34Å; N57-E59 WeakPolarHBondContact OD1-CB 3.49Å; N57-E59 PolarHBondContact OD1-N 2.89Å; N57-Y60 VanDerWaalsContact O-CB 3.26Å; N57-Y60 WeakPolarHBondContact O-CB 3.32Å; N57-Y60 PolarHBondContact O-N 3.37Å
58A86Confident91.8Very high67 Ų6774.1 Ų74.155%0.55435%0.35SS*.Hα-helixtrans-62.2-22.1175.700000113.8Y60 R62A58-Y60 VanDerWaalsContact C-N 3.34Å; A58-R62 WeakPolarHBondContact O-CD 3.32Å
59E90.1Very high91.8Very high52 Ų5277.1 Ų77.124%0.24337%0.365CS..Hα-helixtrans-71-29173.5-167.461.8-161.500112N57 R62 R63N57-E59 PolarHBondContact O-N 2.69Å; N57-E59 VanDerWaalsContact O-N 3.16Å; N57-E59 WeakPolarHBondContact OD1-CA 3.34Å; N57-E59 WeakPolarHBondContact OD1-CB 3.49Å; N57-E59 PolarHBondContact OD1-N 2.89Å; E59-R62 CarbonylContact O-C 3.5Å; E59-R62 PolarHBondContact O-N 3.47Å; E59-R62 IonicContact OE1-CZ 3.55Å; E59-R62 IonicContact OE1-NH2 3.27Å; E59-R62 PolarHBondContact OE1-NH2 3.18Å; E59-R62 IonicContact OE2-CZ 2.88Å; E59-R62 IonicContact OE2-NE 2.7Å; E59-R62 IonicContact OE2-NH1 2.76Å; E59-R62 PolarHBondContact OE2-NH1 2.71Å; E59-R62 IonicContact OE2-NH2 3.76Å; E59-R62 PolarHBondContact OE2-NH2 2.83Å; E59-R63 HydrophobicContact CG-CG 4.25Å; E59-R63 WeakPolarHBondContact O-CB 3.37Å; E59-R63 WeakPolarHBondContact O-CG 3.38Å; E59-R63 PolarHBondContact O-N 2.87Å; E59-R63 IonicContact OE1-CZ 2.69Å; E59-R63 IonicContact OE1-NE 3.18Å; E59-R63 PolarHBondContact OE1-NE 3.16Å; E59-R63 IonicContact OE1-NH2 3.1Å; E59-R63 PolarHBondContact OE1-NH2 3.49Å; E59-R63 VanDerWaalsContact OE1-NH2 3.1Å
60Y91.9Very high91.8Very high37 Ų3777.6 Ų77.615%0.14538%0.378CS..Hα-helixtrans-60.7-49.8175.8174.5-95.5000110.9D50 W53 A54 N57 A58 R62 R63 R64D50-Y60 PolarHBondContact OD1-OH 2.7Å; W53-Y60 HydrophobicContact CB-CD1 3.72Å; W53-Y60 HydrophobicContact CB-CD2 3.68Å; W53-Y60 HydrophobicContact CB-CE1 3.89Å; W53-Y60 HydrophobicContact CB-CE2 3.85Å; W53-Y60 HydrophobicContact CB-CG 3.62Å; W53-Y60 HydrophobicContact CD2-CE2 4.15Å; W53-Y60 HydrophobicContact CE3-CD2 4.48Å; W53-Y60 AromaticContact CE3-CE2 3.65Å; W53-Y60 HydrophobicContact CE3-CE2 3.65Å; W53-Y60 AromaticContact CE3-CZ 3.8Å; W53-Y60 HydrophobicContact CG-CD2 4.32Å; W53-Y60 HydrophobicContact CG-CE2 4.3Å; W53-Y60 HydrophobicContact CZ3-CE2 4.48Å; A54-Y60 HydrophobicContact CB-CD1 4.22Å; A54-Y60 HydrophobicContact CB-CE1 4.49Å; N57-Y60 VanDerWaalsContact O-CB 3.26Å; N57-Y60 WeakPolarHBondContact O-CB 3.32Å; N57-Y60 PolarHBondContact O-N 3.37Å; A58-Y60 VanDerWaalsContact C-N 3.34Å; Y60-R62 PolarHBondContact O-N 3.03Å; Y60-R63 CarbonylContact O-C 3.59Å; Y60-R63 PolarHBondContact O-N 3.28Å; Y60-R64 HydrophobicContact CE1-CB 4.43Å; Y60-R64 HydrophobicContact CE1-CG 4.36Å; Y60-R64 WeakPolarHBondContact O-CB 3.3Å; Y60-R64 PolarHBondContact O-N 2.9Å
61I87.6Confident91.9Very high80 Ų8081 Ų8141%0.4140%0.395SS..Hα-helixtrans-54.1-41.1176.9-55.3-179.8000110.5A54 R63A54-I61 HydrophobicContact CB-CD1 4.05Å; A54-I61 HydrophobicContact CB-CG1 3.75Å; A54-I61 WeakPolarHBondContact O-CD1 3.48Å; I61-R63 VanDerWaalsContact C-N 3.34Å; I61-R63 PolarHBondContact O-N 3.13Å
62R88.9Confident92Very high112 Ų11279.4 Ų79.442%0.42339%0.391SS..Hα-helixtrans-76.5-13.3-179.3-65.6156.379.1-88.7-141.6114.7A58 E59 Y60A58-R62 WeakPolarHBondContact O-CD 3.32Å; E59-R62 CarbonylContact O-C 3.5Å; E59-R62 PolarHBondContact O-N 3.47Å; E59-R62 IonicContact OE1-CZ 3.55Å; E59-R62 IonicContact OE1-NH2 3.27Å; E59-R62 PolarHBondContact OE1-NH2 3.18Å; E59-R62 IonicContact OE2-CZ 2.88Å; E59-R62 IonicContact OE2-NE 2.7Å; E59-R62 IonicContact OE2-NH1 2.76Å; E59-R62 PolarHBondContact OE2-NH1 2.71Å; E59-R62 IonicContact OE2-NH2 3.76Å; E59-R62 PolarHBondContact OE2-NH2 2.83Å; Y60-R62 PolarHBondContact O-N 3.03Å
63R89.9Confident92.1Very high162 Ų16279.1 Ų79.161%0.61139%0.394SS*.Hα-helixtrans-117.6-3.3-178.9-67.4-171-172.3-163.86114E59 Y60 I61 T65E59-R63 HydrophobicContact CG-CG 4.25Å; E59-R63 WeakPolarHBondContact O-CB 3.37Å; E59-R63 WeakPolarHBondContact O-CG 3.38Å; E59-R63 PolarHBondContact O-N 2.87Å; E59-R63 IonicContact OE1-CZ 2.69Å; E59-R63 IonicContact OE1-NE 3.18Å; E59-R63 PolarHBondContact OE1-NE 3.16Å; E59-R63 IonicContact OE1-NH2 3.1Å; E59-R63 PolarHBondContact OE1-NH2 3.49Å; E59-R63 VanDerWaalsContact OE1-NH2 3.1Å; Y60-R63 CarbonylContact O-C 3.59Å; Y60-R63 PolarHBondContact O-N 3.28Å; I61-R63 VanDerWaalsContact C-N 3.34Å; I61-R63 PolarHBondContact O-N 3.13Å; R63-T65 PolarHBondContact O-N 3.41Å; R63-T65 VanDerWaalsContact O-N 3.15Å
64R90.6Very high92.3Very high90 Ų9076.2 Ų76.234%0.3440%0.396SS..  trans-70.2105.7-179.8-173.4-178.865.7-173.2-1.9110.6D50 Y60 I69D50-R64 VanDerWaalsContact CG-NH1 3.33Å; D50-R64 WeakPolarHBondContact OD1-CD 3.3Å; D50-R64 IonicContact OD1-CZ 3.47Å; D50-R64 IonicContact OD1-NE 3.43Å; D50-R64 IonicContact OD1-NH1 3.14Å; D50-R64 PolarHBondContact OD1-NH1 3.35Å; D50-R64 IonicContact OD2-NH1 3.53Å; D50-R64 PolarHBondContact OD2-NH1 3.01Å; D50-R64 VanDerWaalsContact OD2-NH1 3.14Å; Y60-R64 HydrophobicContact CE1-CB 4.43Å; Y60-R64 HydrophobicContact CE1-CG 4.36Å; Y60-R64 WeakPolarHBondContact O-CB 3.3Å; Y60-R64 PolarHBondContact O-N 2.9Å; R64-I69 HydrophobicContact CG-CD1 3.96Å; R64-I69 HydrophobicContact CG-CG1 4.08Å
65T94Very high92.5Very high71 Ų7179.6 Ų79.644%0.43641%0.411SS..  trans-96.1150.9176.560.80000111.6R63 R67 R68 I69R63-T65 PolarHBondContact O-N 3.41Å; R63-T65 VanDerWaalsContact O-N 3.15Å; T65-R67 PolarHBondContact O-N 2.88Å; T65-R68 PolarHBondContact O-N 3.4Å; T65-I69 PolarHBondContact O-N 2.9Å
66G94.1Very high92.8Very high60 Ų6079.7 Ų79.762%0.61941%0.409SS*.Hα-helixtrans-55.4-38175.400000113.1R68 I69 G70G66-R68 VanDerWaalsContact C-N 3.31Å; G66-R68 PolarHBondContact O-N 2.91Å; G66-I69 PolarHBondContact O-N 3.31Å; G66-G70 PolarHBondContact O-N 2.85Å
67R94.7Very high93Very high206 Ų20681.5 Ų81.578%0.77741%0.411SS*.Hα-helixtrans-57.3-38.7174.8-178.5174.3174.2178.7-1.5112.9T65 I71T65-R67 PolarHBondContact O-N 2.88Å; R67-I71 HydrophobicContact CG-CD1 3.97Å; R67-I71 WeakPolarHBondContact O-CD1 3.42Å; R67-I71 VanDerWaalsContact O-CG1 3.25Å; R67-I71 WeakPolarHBondContact O-CG1 3.45Å; R67-I71 PolarHBondContact O-N 2.86Å
68R93.3Very high93.3Very high153 Ų15384.2 Ų84.258%0.57742%0.419SS*.Hα-helixtrans-68.7-41.3177.3-74.2179.2175.4-152.5-4.2111.7T65 G66 I71 M72T65-R68 PolarHBondContact O-N 3.4Å; G66-R68 VanDerWaalsContact C-N 3.31Å; G66-R68 PolarHBondContact O-N 2.91Å; R68-I71 PolarHBondContact O-N 2.89Å; R68-M72 WeakPolarHBondContact O-CG 3.09Å; R68-M72 PolarHBondContact O-N 3.37Å
69I94.9Very high93.6Very high64 Ų6484.1 Ų84.133%0.32841%0.409SS..Hα-helixtrans-64.1-44.9176.3-57.7173.1000110.3R64 T65 G66 I71 M72 I73R64-I69 HydrophobicContact CG-CD1 3.96Å; R64-I69 HydrophobicContact CG-CG1 4.08Å; T65-I69 PolarHBondContact O-N 2.9Å; G66-I69 PolarHBondContact O-N 3.31Å; I69-I71 VanDerWaalsContact C-N 3.34Å; I69-I71 PolarHBondContact O-N 2.76Å; I69-M72 PolarHBondContact O-N 2.92Å; I69-I73 HydrophobicContact CG2-CD1 3.89Å; I69-I73 HydrophobicContact CG2-CG1 4.5Å; I69-I73 WeakPolarHBondContact O-CG1 3.43Å; I69-I73 PolarHBondContact O-N 3.4Å
70G96.4Very high93.8Very high42 Ų4281.6 Ų81.643%0.43340%0.397SS..Hα-helixtrans-60.8-39.2176.400000113.3G66 I73 G74G66-G70 PolarHBondContact O-N 2.85Å; G70-I73 PolarHBondContact O-N 2.98Å; G70-G74 PolarHBondContact O-N 3.22Å
71I96Very high93.8Very high89 Ų8982.9 Ų82.946%0.45641%0.409SS..Hα-helixtrans-64-44.1173.4-70.5163.9000111.1R67 R68 I69 I73 G74 I75R67-I71 HydrophobicContact CG-CD1 3.97Å; R67-I71 WeakPolarHBondContact O-CD1 3.42Å; R67-I71 VanDerWaalsContact O-CG1 3.25Å; R67-I71 WeakPolarHBondContact O-CG1 3.45Å; R67-I71 PolarHBondContact O-N 2.86Å; R68-I71 PolarHBondContact O-N 2.89Å; I69-I71 VanDerWaalsContact C-N 3.34Å; I69-I71 PolarHBondContact O-N 2.76Å; I71-I73 PolarHBondContact O-N 3.01Å; I71-G74 PolarHBondContact O-N 3.13Å; I71-I75 HydrophobicContact CG2-CD1 3.83Å; I71-I75 VanDerWaalsContact O-CG1 3.31Å; I71-I75 WeakPolarHBondContact O-CG1 3.4Å; I71-I75 PolarHBondContact O-N 3.13Å
72M94.7Very high93.9Very high39 Ų3983.5 Ų83.519%0.19241%0.412CS..Hα-helixtrans-59.9-46.6175.7-70.1173.765.600111.7W53 R68 I69 G74 I75 F76W53-M72 HydrophobicContact CZ3-CE 4.01Å; W53-M72 HydrophobicContact CZ3-SD 4.3Å; R68-M72 WeakPolarHBondContact O-CG 3.09Å; R68-M72 PolarHBondContact O-N 3.37Å; I69-M72 PolarHBondContact O-N 2.92Å; M72-G74 PolarHBondContact O-N 3.4Å; M72-I75 PolarHBondContact O-N 2.97Å; M72-F76 HydrophobicContact CB-CE2 3.92Å; M72-F76 HydrophobicContact CB-CZ 4.29Å; M72-F76 HydrophobicContact CE-CE2 4.35Å; M72-F76 HydrophobicContact CE-CZ 4.17Å; M72-F76 WeakPolarHBondContact O-CD2 3.44Å; M72-F76 WeakPolarHBondContact O-CE2 3.35Å; M72-F76 VanDerWaalsContact O-CG 3.26Å; M72-F76 WeakPolarHBondContact O-CG 3.43Å; M72-F76 PolarHBondContact O-N 3.19Å
73I97Very high93.7Very high68 Ų6880.6 Ų80.635%0.34941%0.405SS..Hα-helixtrans-59.6-44.7176.5-69.7168.4000111I69 G70 I71 I75 F76 W77I69-I73 HydrophobicContact CG2-CD1 3.89Å; I69-I73 HydrophobicContact CG2-CG1 4.5Å; I69-I73 WeakPolarHBondContact O-CG1 3.43Å; I69-I73 PolarHBondContact O-N 3.4Å; G70-I73 PolarHBondContact O-N 2.98Å; I71-I73 PolarHBondContact O-N 3.01Å; I73-I75 PolarHBondContact O-N 3.04Å; I73-F76 PolarHBondContact O-N 3.22Å; I73-W77 VanDerWaalsContact O-CD1 3.27Å; I73-W77 PolarHBondContact O-N 2.9Å
74G96.9Very high93.5Very high41 Ų4173.4 Ų73.442%0.42338%0.379SS..Hα-helixtrans-60.9-41176.300000113.3G70 I71 M72 W77 F78G70-G74 PolarHBondContact O-N 3.22Å; I71-G74 PolarHBondContact O-N 3.13Å; M72-G74 PolarHBondContact O-N 3.4Å; G74-W77 PolarHBondContact O-N 2.98Å; G74-F78 WeakPolarHBondContact O-CB 3.2Å; G74-F78 PolarHBondContact O-N 3.26Å
75I96.4Very high93.2Very high87 Ų8772.2 Ų72.245%0.44638%0.379SS..Hα-helixtrans-62.9-43.9174.3-69.2164.1000110.8I71 M72 I73 W77 F78 L79I71-I75 HydrophobicContact CG2-CD1 3.83Å; I71-I75 VanDerWaalsContact O-CG1 3.31Å; I71-I75 WeakPolarHBondContact O-CG1 3.4Å; I71-I75 PolarHBondContact O-N 3.13Å; M72-I75 PolarHBondContact O-N 2.97Å; I73-I75 PolarHBondContact O-N 3.04Å; I75-W77 PolarHBondContact O-N 3.18Å; I75-F78 PolarHBondContact O-N 3.47Å; I75-L79 HydrophobicContact CG2-CD1 3.84Å; I75-L79 HydrophobicContact CG2-CG 4.34Å; I75-L79 WeakPolarHBondContact O-CB 3.34Å; I75-L79 VanDerWaalsContact O-CG 3.32Å; I75-L79 WeakPolarHBondContact O-CG 3.35Å; I75-L79 PolarHBondContact O-N 3.42Å
76F95.4Very high92.4Very high24 Ų2471.2 Ų71.211%0.10537%0.374CS..Hα-helixtrans-65.3-39.3178.4-57.6-39.6000112.3L42 G46 M72 I73 S80L42-F76 HydrophobicContact CB-CB 3.93Å; L42-F76 HydrophobicContact CB-CD1 4.03Å; L42-F76 HydrophobicContact CB-CG 4.13Å; G46-F76 VanDerWaalsContact CA-CE2 3.47Å; G46-F76 VanDerWaalsContact CA-CZ 3.47Å; M72-F76 HydrophobicContact CB-CE2 3.92Å; M72-F76 HydrophobicContact CB-CZ 4.29Å; M72-F76 HydrophobicContact CE-CE2 4.35Å; M72-F76 HydrophobicContact CE-CZ 4.17Å; M72-F76 WeakPolarHBondContact O-CD2 3.44Å; M72-F76 WeakPolarHBondContact O-CE2 3.35Å; M72-F76 VanDerWaalsContact O-CG 3.26Å; M72-F76 WeakPolarHBondContact O-CG 3.43Å; M72-F76 PolarHBondContact O-N 3.19Å; I73-F76 PolarHBondContact O-N 3.22Å; F76-S80 WeakPolarHBondContact O-CB 3.18Å; F76-S80 PolarHBondContact O-N 2.87Å; F76-S80 PolarHBondContact O-OG 2.98Å
77W95.8Very high91.3Very high85 Ų8568.7 Ų68.732%0.32235%0.347SS..Hα-helixtrans-63.7-45.5172.6-81.8108.9000112.5M1 L35 A39 H43 I73 G74 I75 L79 S80 V81M1-W77 HydrophobicContact CE-CH2 3.63Å; M1-W77 HydrophobicContact CE-CZ3 4.12Å; M1-W77 HydrophobicContact SD-CH2 3.57Å; M1-W77 VanDerWaalsContact SD-CH2 3.57Å; M1-W77 HydrophobicContact SD-CZ2 4.05Å; L35-W77 HydrophobicContact CD1-CE3 4.45Å; L35-W77 HydrophobicContact CD1-CZ3 4.29Å; L35-W77 HydrophobicContact CG-CZ3 4.37Å; A39-W77 HydrophobicContact CB-CE3 4.22Å; A39-W77 HydrophobicContact CB-CH2 3.77Å; A39-W77 HydrophobicContact CB-CZ2 4.35Å; A39-W77 HydrophobicContact CB-CZ3 3.71Å; H43-W77 AromaticContact CE1-CD1 3.95Å; H43-W77 AromaticContact CE1-CE2 3.86Å; H43-W77 AromaticContact CE1-NE1 3.5Å; H43-W77 AromaticContact NE2-NE1 3.72Å; I73-W77 VanDerWaalsContact O-CD1 3.27Å; I73-W77 PolarHBondContact O-N 2.9Å; G74-W77 PolarHBondContact O-N 2.98Å; I75-W77 PolarHBondContact O-N 3.18Å; W77-L79 PolarHBondContact O-N 2.91Å; W77-S80 PolarHBondContact O-N 2.95Å; W77-V81 WeakPolarHBondContact O-CG2 3.47Å; W77-V81 PolarHBondContact O-N 3.36Å
78F95.5Very high90.2Very high139 Ų13966.3 Ų66.361%0.6134%0.338SS*.Hα-helixtrans-58.6-47.5176.4176.7-97.7000112.2G74 I75 S80 V81 L82G74-F78 WeakPolarHBondContact O-CB 3.2Å; G74-F78 PolarHBondContact O-N 3.26Å; I75-F78 PolarHBondContact O-N 3.47Å; F78-S80 VanDerWaalsContact C-N 3.33Å; F78-S80 PolarHBondContact O-N 3.43Å; F78-V81 PolarHBondContact O-N 2.95Å; F78-L82 HydrophobicContact CE1-CD2 4.38Å; F78-L82 WeakPolarHBondContact O-CB 3.25Å; F78-L82 PolarHBondContact O-N 3.29Å
79L92.4Very high89Confident65 Ų6566.4 Ų66.434%0.3434%0.343SS..Hα-helixtrans-63.8-36.6176.6-70.3172.1000112.5L42 I75 W77 L82 I83L42-L79 HydrophobicContact CD1-CB 3.62Å; L42-L79 HydrophobicContact CD1-CD1 4.44Å; I75-L79 HydrophobicContact CG2-CD1 3.84Å; I75-L79 HydrophobicContact CG2-CG 4.34Å; I75-L79 WeakPolarHBondContact O-CB 3.34Å; I75-L79 VanDerWaalsContact O-CG 3.32Å; I75-L79 WeakPolarHBondContact O-CG 3.35Å; I75-L79 PolarHBondContact O-N 3.42Å; W77-L79 PolarHBondContact O-N 2.91Å; L79-L82 PolarHBondContact O-N 3.44Å; L79-I83 WeakPolarHBondContact O-CG1 3.37Å; L79-I83 PolarHBondContact O-N 3.25Å
80S93.3Very high87.4Confident0 Ų064.9 Ų64.90%033%0.334CS..Hα-helixtrans-67.6-38.8177.1-52.30000112.1A39 F76 W77 F78 S84A39-S80 WeakPolarHBondContact CA-OG 3.29Å; A39-S80 PolarHBondContact N-OG 3.18Å; F76-S80 WeakPolarHBondContact O-CB 3.18Å; F76-S80 PolarHBondContact O-N 2.87Å; F76-S80 PolarHBondContact O-OG 2.98Å; W77-S80 PolarHBondContact O-N 2.95Å; F78-S80 VanDerWaalsContact C-N 3.33Å; F78-S80 PolarHBondContact O-N 3.43Å; S80-S84 VanDerWaalsContact O-CB 3.24Å; S80-S84 WeakPolarHBondContact O-CB 3.35Å; S80-S84 PolarHBondContact O-N 3.05Å
81V91.5Very high85.4Confident63 Ų6368.7 Ų68.738%0.38235%0.349SS..Hα-helixtrans-66.8-42.7172.9170.50000110.7L35 W77 F78 I83 S84 I85L35-V81 HydrophobicContact CD1-CB 4.49Å; L35-V81 HydrophobicContact CD1-CG2 3.72Å; W77-V81 WeakPolarHBondContact O-CG2 3.47Å; W77-V81 PolarHBondContact O-N 3.36Å; F78-V81 PolarHBondContact O-N 2.95Å; V81-I83 VanDerWaalsContact C-N 3.32Å; V81-I83 PolarHBondContact O-N 3.4Å; V81-S84 PolarHBondContact O-N 3.45Å; V81-I85 HydrophobicContact CG1-CD1 3.65Å; V81-I85 HydrophobicContact CG1-CG1 4.13Å; V81-I85 VanDerWaalsContact O-CG1 3.28Å; V81-I85 WeakPolarHBondContact O-CG1 3.38Å; V81-I85 PolarHBondContact O-N 3.45Å
82L89.8Confident83.5Confident93 Ų9367.9 Ų67.949%0.48735%0.348SS..Hα-helixtrans-61.7-36.8177.9-176.362.3000112.9F78 L79 P86F78-L82 HydrophobicContact CE1-CD2 4.38Å; F78-L82 WeakPolarHBondContact O-CB 3.25Å; F78-L82 PolarHBondContact O-N 3.29Å; L79-L82 PolarHBondContact O-N 3.44Å; L82-P86 WeakPolarHBondContact O-CD 3.47Å
83I85.8Confident81.7Confident52 Ų5267.3 Ų67.327%0.26734%0.344SS..Hα-helixtrans-77.3-30.2175.7-69.2165.9000111.9T38 L79 V81 A128T38-I83 HydrophobicContact CG2-CB 4.14Å; T38-I83 HydrophobicContact CG2-CD1 3.78Å; T38-I83 HydrophobicContact CG2-CG2 4.1Å; L79-I83 WeakPolarHBondContact O-CG1 3.37Å; L79-I83 PolarHBondContact O-N 3.25Å; V81-I83 VanDerWaalsContact C-N 3.32Å; V81-I83 PolarHBondContact O-N 3.4Å; I83-A128 HydrophobicContact CG2-CB 4.48Å
84S85.9Confident79.4Confident10 Ų1066.7 Ų66.77%0.0735%0.346CS..Hα-helixtrans-76.1-37.6177.2174.10000113.3C31 S80 V81 A87C31-S84 PolarHBondContact O-OG 2.82Å; S80-S84 VanDerWaalsContact O-CB 3.24Å; S80-S84 WeakPolarHBondContact O-CB 3.35Å; S80-S84 PolarHBondContact O-N 3.05Å; V81-S84 PolarHBondContact O-N 3.45Å; S84-A87 VanDerWaalsContact O-CB 3.26Å; S84-A87 WeakPolarHBondContact O-CB 3.16Å; S84-A87 PolarHBondContact O-N 3.33Å
85I83.4Confident77.1Confident66 Ų6671.6 Ų71.634%0.33835%0.353SS..G310 helixtrans-52.8-44-176.6-80.1165.7000114.4V81 A87 R88 F89V81-I85 HydrophobicContact CG1-CD1 3.65Å; V81-I85 HydrophobicContact CG1-CG1 4.13Å; V81-I85 VanDerWaalsContact O-CG1 3.28Å; V81-I85 WeakPolarHBondContact O-CG1 3.38Å; V81-I85 PolarHBondContact O-N 3.45Å; I85-A87 PolarHBondContact O-N 3.41Å; I85-A87 VanDerWaalsContact O-N 3.09Å; I85-R88 PolarHBondContact O-N 2.92Å; I85-F89 HydrophobicContact CG2-CD2 4.21Å; I85-F89 HydrophobicContact CG2-CE2 3.68Å
86P77.9Confident75Confident50 Ų5072.8 Ų72.833%0.32536%0.36SS..G310 helixtrans-52-27.7174.8-32.537.8000115.2L82 R88 F89 Y120L82-P86 WeakPolarHBondContact O-CD 3.47Å; P86-R88 PolarHBondContact O-N 3.23Å; P86-F89 PolarHBondContact O-N 3.23Å; P86-Y120 HydrophobicContact CB-CE2 3.95Å
87A69.7Low72.9Confident7 Ų775.2 Ų75.26%0.05837%0.369CS..G310 helixtrans-67.5-15.2177.300000113.9V30 S84 I85 Y120V30-A87 HydrophobicContact CG1-CB 4.27Å; S84-A87 VanDerWaalsContact O-CB 3.26Å; S84-A87 WeakPolarHBondContact O-CB 3.16Å; S84-A87 PolarHBondContact O-N 3.33Å; I85-A87 PolarHBondContact O-N 3.41Å; I85-A87 VanDerWaalsContact O-N 3.09Å; A87-Y120 WeakPolarHBondContact CA-OH 3.42Å; A87-Y120 WeakPolarHBondContact CB-OH 3.5Å
88R71.7Confident70.2Confident156 Ų15674 Ų7459%0.58938%0.384SS*.G310 helixtrans-89.1-18.3173.4-66.2-157.1-57.41542.9114.7C31 I85 P86 H90C31-R88 WeakPolarHBondContact SG-CG 3.33Å; I85-R88 PolarHBondContact O-N 2.92Å; P86-R88 PolarHBondContact O-N 3.23Å; R88-H90 PolarHBondContact O-N 2.96Å; R88-H90 VanDerWaalsContact O-N 3.13Å
89F68.5Low67.4Low154 Ų15471.8 Ų71.868%0.67539%0.385SS*.  trans-87.635.1-178.4-69.6-67000112I85 P86 T91I85-F89 HydrophobicContact CG2-CD2 4.21Å; I85-F89 HydrophobicContact CG2-CE2 3.68Å; P86-F89 PolarHBondContact O-N 3.23Å; F89-T91 PolarHBondContact O-N 2.95Å
90H61.7Low65Low32 Ų3280.3 Ų80.315%0.14842%0.415CS..  trans-88.782-173.8-173.9-132.9000111.3R88 T92 R93 N115R88-H90 PolarHBondContact O-N 2.96Å; R88-H90 VanDerWaalsContact O-N 3.13Å; H90-T92 PolarHBondContact CD2-OG1 2.92Å; H90-T92 VanDerWaalsContact CD2-OG1 3.3Å; H90-T92 PolarHBondContact NE2-OG1 3.19Å; H90-T92 PolarHBondContact O-N 3.4Å; H90-R93 PolarHBondContact O-N 3.25Å; H90-N115 WeakPolarHBondContact CD2-CB 3.27Å; H90-N115 WeakPolarHBondContact NE2-CA 3.27Å; H90-N115 WeakPolarHBondContact NE2-CB 3.31Å
91T54.9Low62.7Low123 Ų12384.2 Ų84.276%0.75544%0.439SS*.THydrogen-bonded Turntrans-63.9-8.4-173.449.10000115.6F89F89-T91 PolarHBondContact O-N 2.95Å
92T55.7Low60.2Low71 Ų7187.2 Ų87.244%0.43646%0.462SS..THydrogen-bonded Turntrans-104.20.9-174.444.20000114.2H90H90-T92 PolarHBondContact CD2-OG1 2.92Å; H90-T92 VanDerWaalsContact CD2-OG1 3.3Å; H90-T92 PolarHBondContact NE2-OG1 3.19Å; H90-T92 PolarHBondContact O-N 3.4Å
93R56.7Low58.1Low27 Ų2789 Ų8910%0.10247%0.472CS..G310 helixtrans-71.3-28.4178.2-172.6163.2-83.6179.1-13.2114.1E23 C26 D27 H90 Y95 R113E23-R93 HydrophobicContact CG-CG 4.19Å; E23-R93 WeakPolarHBondContact OE1-CB 3.5Å; E23-R93 WeakPolarHBondContact OE1-CG 3.34Å; C26-R93 PolarHBondContact SG-NH1 3.25Å; C26-R93 PolarHBondContact SG-NH2 2.92Å; D27-R93 IonicContact OD1-CZ 2.64Å; D27-R93 IonicContact OD1-NH1 2.63Å; D27-R93 PolarHBondContact OD1-NH1 3.19Å; H90-R93 PolarHBondContact O-N 3.25Å; R93-Y95 PolarHBondContact O-N 3.28Å; R93-Y95 VanDerWaalsContact O-N 3.1Å; R93-R113 PolarHBondContact NH2-O 3.15Å
94S49.4Very low56.4Low56 Ų5694.7 Ų94.739%0.39250%0.502SS..G310 helixtrans-60.7-21.4-171.6179.80000115.3Y365S94-Y365 PolarHBondContact OG-OH 3.33Å
95Y48.4Very low54.5Low143 Ų14399.2 Ų99.256%0.56153%0.526SS*.G310 helixtrans-70.1-38.5-175.2-67.5-80.7000113.9R93R93-Y95 PolarHBondContact O-N 3.28Å; R93-Y95 VanDerWaalsContact O-N 3.1Å
96N51.3Low53Low113 Ų113104.6 Ų104.660%0.60455%0.554SS**G310 helixtrans-96.612.4-171.1-69.422.4000113.9
97Y51.1Low51.9Low74 Ų74109.4 Ų109.429%0.2958%0.577SS.*G310 helixtrans-120.1-0.5-174-133.3-88.2000115.9W19 W20 L21 G22 P110W19-Y97 AromaticContact CD1-CE2 3.64Å; W19-Y97 AromaticContact CD1-CZ 3.8Å; W19-Y97 WeakPolarHBondContact O-CE2 3.46Å; W19-Y97 PolarHBondContact O-OH 2.94Å; W20-Y97 VanDerWaalsContact CA-OH 3.3Å; W20-Y97 WeakPolarHBondContact CA-OH 3.33Å; L21-Y97 PolarHBondContact N-OH 3.43Å; G22-Y97 VanDerWaalsContact CA-CE1 3.42Å; G22-Y97 PolarHBondContact N-OH 3.27Å; Y97-P110 HydrophobicContact CD2-CB 4.14Å; Y97-P110 HydrophobicContact CE2-CB 3.64Å
98G39.8Very low51.5Low61 Ų61114.4 Ų114.463%0.62960%0.599SS**SBendtrans143.394167.600000114.4
99S35.9Very low51.1Low92 Ų92110 Ų11064%0.64359%0.591SS**  trans-160.9156.7153.6-88.10000111.9T101S99-T101 VanDerWaalsContact C-N 3.3Å; S99-T101 PolarHBondContact O-N 3.46Å
100Y43.7Very low51.2Low244 Ų244105 Ų10596%0.95757%0.574SS**  trans-69.286.7164.2-77-119.5000108.7
101T43.6Very low51.8Low82 Ų82105 Ų10550%0.50358%0.578SS.*  trans-124.7123.3170.548.70000108.7S99 D103S99-T101 VanDerWaalsContact C-N 3.3Å; S99-T101 PolarHBondContact O-N 3.46Å; T101-D103 PolarHBondContact O-N 3.36Å
102S39.9Very low53.1Low125 Ų12599.8 Ų99.887%0.87455%0.546SS*.SBendtrans-76.812.7-154.4-48.60000116.8
103D44.9Very low54Low132 Ų132102.9 Ų102.971%0.70655%0.55SS*.SBendtrans-133.2143-172.3-64.1-76.9000110.6T101T101-D103 PolarHBondContact O-N 3.36Å
104L51.4Low54.9Low171 Ų171105.2 Ų105.290%0.89556%0.563SS**SBendtrans82.5156.3-178.9-54158000116.1L106L104-L106 PolarHBondContact O-N 2.92Å
105N45Very low56Low105 Ų105103.8 Ų103.856%0.56155%0.551SS**  trans-61119.1-160-68.7-42.9000115.2N107 E108N105-N107 PolarHBondContact O-N 3.46Å; N105-E108 HydrophobicContact CB-CG 4.21Å; N105-E108 PolarHBondContact ND2-OE1 3.05Å
106L52.5Low57.2Low179 Ų179101.4 Ų101.494%0.93755%0.545SS*.THydrogen-bonded Turntrans-68.87169.3-149.879.4000114.5L104L104-L106 PolarHBondContact O-N 2.92Å
107N53.5Low58.5Low150 Ų150101.7 Ų101.780%0.80254%0.543SS*.THydrogen-bonded Turntrans-111.7-1.8-174.1-65.6-37.7000113.5N105N105-N107 PolarHBondContact O-N 3.46Å
108E61.1Low60.1Low113 Ų113102.9 Ų102.953%0.52855%0.551SS.*SBendtrans-97122.7179.7-72.2-177.9-126.300110.6N105N105-E108 HydrophobicContact CB-CG 4.21Å; N105-E108 PolarHBondContact ND2-OE1 3.05Å
109P64.8Low62.3Low64 Ų64102.7 Ų102.742%0.41655%0.549SS..PPolyproline II helixtrans-68.9153.1-178.726.9-33.8000112.1D18 S111D18-P109 HydrophobicContact CB-CB 4.08Å; D18-P109 WeakPolarHBondContact OD1-CB 3.46Å; D18-P109 VanDerWaalsContact OD1-CG 3.27Å; D18-P109 WeakPolarHBondContact OD1-CG 3.35Å; P109-S111 PolarHBondContact O-N 2.73Å
110P69.5Low64.4Low48 Ų48100.1 Ų100.131%0.31253%0.525SS..PPolyproline II helixtrans-59.3124.9177.825.5-34.4000110W19 Y97W19-P110 WeakPolarHBondContact CA-O 3.43Å; W19-P110 WeakPolarHBondContact CB-O 3.07Å; W19-P110 PolarHBondContact N-O 2.94Å; W19-P110 WeakPolarHBondContact O-CB 3.5Å; W19-P110 WeakPolarHBondContact O-CG 3.46Å; Y97-P110 HydrophobicContact CD2-CB 4.14Å; Y97-P110 HydrophobicContact CE2-CB 3.64Å
111S75.4Confident66.4Low33 Ų3389 Ų8923%0.23148%0.482CS..  trans-132.7135.7-174.558.70000112.8P109 R113P109-S111 PolarHBondContact O-N 2.73Å; S111-R113 PolarHBondContact O-N 3.31Å; S111-R113 VanDerWaalsContact O-N 3.13Å; S111-R113 PolarHBondContact OG-NE 3.11Å
112C81Confident68.6Low13 Ų1387.4 Ų87.49%0.08847%0.473CS..  trans-8681.9-176.4-178.90000111.6W19 C26 W29W19-C112 HydrophobicContact CB-CB 4.1Å; W19-C112 HydrophobicContact CD2-CB 3.53Å; W19-C112 HydrophobicContact CE3-CB 3.72Å; W19-C112 HydrophobicContact CG-CB 3.66Å; W19-C112 HydrophobicContact CZ3-CB 4.4Å; C26-C112 WeakPolarHBondContact CA-SG 3.34Å; C26-C112 HydrophobicContact CB-CB 3.94Å; C26-C112 WeakPolarHBondContact CB-SG 3.5Å; C26-C112 WeakPolarHBondContact SG-CA 3.28Å; C26-C112 WeakPolarHBondContact SG-CB 3.32Å; C26-C112 CovalentContact SG-SG 2.03Å; C26-C112 PolarHBondContact SG-SG 3.22Å; W29-C112 HydrophobicContact CE3-CB 4.21Å; W29-C112 VanDerWaalsContact CE3-SG 3.58Å; W29-C112 HydrophobicContact CZ3-CB 3.99Å
113R74.8Confident70.7Confident136 Ų13688.6 Ų88.651%0.51346%0.462SS..PPolyproline II helixtrans-97.5133.5179-56.3-173.1-169.7-171.14.7111.8R93 S111R93-R113 PolarHBondContact NH2-O 3.15Å; S111-R113 PolarHBondContact O-N 3.31Å; S111-R113 VanDerWaalsContact O-N 3.13Å; S111-R113 PolarHBondContact OG-NE 3.11Å
114I75.4Confident72.5Confident75 Ų7583.4 Ų83.439%0.38544%0.436SS..PPolyproline II helixtrans-64.6157.7169.3-167.7167.8000110.4V30 V34 Q116 Y120V30-I114 HydrophobicContact CG1-CB 4.33Å; V30-I114 HydrophobicContact CG1-CD1 3.87Å; V30-I114 HydrophobicContact CG1-CG1 3.91Å; V34-I114 HydrophobicContact CG2-CD1 4.39Å; I114-Q116 VanDerWaalsContact O-CG 3.3Å; I114-Q116 WeakPolarHBondContact O-CG 3.37Å; I114-Q116 PolarHBondContact O-N 2.99Å; I114-Y120 HydrophobicContact CD1-CE1 4.34Å; I114-Y120 HydrophobicContact CG1-CE1 4.26Å
115N73.7Confident74.3Confident27 Ų2775.8 Ų75.814%0.14440%0.396CS..PPolyproline II helixtrans-51.2122.4175-170.60.3000112.2H90 E117 Y120 T121H90-N115 WeakPolarHBondContact CD2-CB 3.27Å; H90-N115 WeakPolarHBondContact NE2-CA 3.27Å; H90-N115 WeakPolarHBondContact NE2-CB 3.31Å; N115-E117 VanDerWaalsContact OD1-CB 3.23Å; N115-E117 WeakPolarHBondContact OD1-CB 3.4Å; N115-E117 VanDerWaalsContact OD1-CG 3.27Å; N115-E117 WeakPolarHBondContact OD1-CG 3.44Å; N115-E117 PolarHBondContact OD1-N 3.36Å; N115-Y120 HydrophobicContact CB-CD1 3.64Å; N115-Y120 HydrophobicContact CB-CE1 3.86Å; N115-Y120 HydrophobicContact CB-CG 4.2Å; N115-T121 PolarHBondContact O-OG1 2.92Å
116Q72.4Confident76.4Confident93 Ų9374.7 Ų74.744%0.43539%0.39SS..  trans-98.31.3-178.4-52.2-164.2-91.700113.1I114 H118 P742I114-Q116 VanDerWaalsContact O-CG 3.3Å; I114-Q116 WeakPolarHBondContact O-CG 3.37Å; I114-Q116 PolarHBondContact O-N 2.99Å; Q116-H118 PolarHBondContact O-N 3.41Å; Q116-P742 WeakPolarHBondContact O-CB 3.44Å
117E79.8Confident77.9Confident118 Ų11867.7 Ų67.755%0.55136%0.361SS*.  trans-52.2117.2172.4-81.9-6516000111.7N115 G119 Y120 T121N115-E117 VanDerWaalsContact OD1-CB 3.23Å; N115-E117 WeakPolarHBondContact OD1-CB 3.4Å; N115-E117 VanDerWaalsContact OD1-CG 3.27Å; N115-E117 WeakPolarHBondContact OD1-CG 3.44Å; N115-E117 PolarHBondContact OD1-N 3.36Å; E117-G119 PolarHBondContact O-N 3.29Å; E117-Y120 WeakPolarHBondContact O-CA 3.43Å; E117-Y120 WeakPolarHBondContact O-CB 3.45Å; E117-Y120 PolarHBondContact O-N 3.23Å; E117-T121 PolarHBondContact O-N 3.44Å; E117-T121 PolarHBondContact O-OG1 2.7Å; E117-T121 VanDerWaalsContact O-OG1 3.12Å
118H84.9Confident79.4Confident100 Ų10060.9 Ų60.946%0.46333%0.325SS..Hα-helixtrans-50.7-43.3-169.4-48.9-76.6000112.9Q116 T121 V122 P742 F743Q116-H118 PolarHBondContact O-N 3.41Å; H118-T121 PolarHBondContact O-N 3.42Å; H118-V122 WeakPolarHBondContact O-CB 3.21Å; H118-V122 VanDerWaalsContact O-CG2 3.27Å; H118-V122 WeakPolarHBondContact O-CG2 3.3Å; H118-V122 PolarHBondContact O-N 2.95Å; H118-P742 PolarHBondContact CE1-O 2.85Å; H118-P742 PolarHBondContact ND1-O 2.93Å; H118-F743 HydrophobicContact CB-CE1 4.11Å; H118-F743 HydrophobicContact CB-CZ 4.18Å; H118-F743 AromaticContact ND1-CE1 3.97Å
119G84.1Confident80.9Confident56 Ų5655.5 Ų55.558%0.57730%0.3SS*.Hα-helixtrans-65.4-42.2179.100000113.4E117 F123E117-G119 PolarHBondContact O-N 3.29Å; G119-F123 VanDerWaalsContact O-CB 3.3Å; G119-F123 WeakPolarHBondContact O-CB 3.48Å; G119-F123 PolarHBondContact O-N 2.9Å; G119-F123 VanDerWaalsContact O-N 3.09Å
120Y81.5Confident82.2Confident39 Ų3954.5 Ų54.515%0.15329%0.289CS..Hα-helixtrans-66-46.2174.6173.6-88.3000110.9P86 A87 I114 N115 E117 V122 F123 S124P86-Y120 HydrophobicContact CB-CE2 3.95Å; A87-Y120 WeakPolarHBondContact CA-OH 3.42Å; A87-Y120 WeakPolarHBondContact CB-OH 3.5Å; I114-Y120 HydrophobicContact CD1-CE1 4.34Å; I114-Y120 HydrophobicContact CG1-CE1 4.26Å; N115-Y120 HydrophobicContact CB-CD1 3.64Å; N115-Y120 HydrophobicContact CB-CE1 3.86Å; N115-Y120 HydrophobicContact CB-CG 4.2Å; E117-Y120 WeakPolarHBondContact O-CA 3.43Å; E117-Y120 WeakPolarHBondContact O-CB 3.45Å; E117-Y120 PolarHBondContact O-N 3.23Å; Y120-V122 PolarHBondContact O-N 3.41Å; Y120-F123 PolarHBondContact O-N 3.14Å; Y120-S124 VanDerWaalsContact O-CB 3.32Å; Y120-S124 WeakPolarHBondContact O-CB 3.19Å; Y120-S124 PolarHBondContact O-N 2.91Å; Y120-S124 PolarHBondContact O-OG 3.23Å
121T85.4Confident83.3Confident9 Ų957.7 Ų57.76%0.05530%0.301CS..Hα-helixtrans-66.2-40.1-176.4-46.10000111.4N115 E117 H118 S124 N125 A738 P742N115-T121 PolarHBondContact O-OG1 2.92Å; E117-T121 PolarHBondContact O-N 3.44Å; E117-T121 PolarHBondContact O-OG1 2.7Å; E117-T121 VanDerWaalsContact O-OG1 3.12Å; H118-T121 PolarHBondContact O-N 3.42Å; T121-S124 PolarHBondContact O-OG 3.39Å; T121-N125 WeakPolarHBondContact CG2-ND2 3.47Å; T121-N125 WeakPolarHBondContact O-CB 3.25Å; T121-N125 PolarHBondContact O-N 2.87Å; T121-N125 VanDerWaalsContact O-N 3.11Å; T121-N125 PolarHBondContact O-ND2 3.5Å; T121-A738 WeakPolarHBondContact CG2-O 3.42Å; T121-P742 HydrophobicContact CG2-CG 3.84Å
122V88.8Confident84.1Confident49 Ų4956.5 Ų56.530%0.29729%0.292SS..Hα-helixtrans-63.3-51.5173.1169.40000111.4H118 Y120 S124 I126 L739 F743H118-V122 WeakPolarHBondContact O-CB 3.21Å; H118-V122 VanDerWaalsContact O-CG2 3.27Å; H118-V122 WeakPolarHBondContact O-CG2 3.3Å; H118-V122 PolarHBondContact O-N 2.95Å; Y120-V122 PolarHBondContact O-N 3.41Å; V122-S124 PolarHBondContact O-N 3.45Å; V122-I126 HydrophobicContact CG1-CD1 3.65Å; V122-I126 HydrophobicContact CG1-CG1 4.48Å; V122-I126 WeakPolarHBondContact O-CB 3.21Å; V122-I126 VanDerWaalsContact O-CG1 3.31Å; V122-I126 WeakPolarHBondContact O-CG1 3.47Å; V122-I126 PolarHBondContact O-N 3.48Å; V122-L739 HydrophobicContact CG2-CD1 4.26Å; V122-F743 HydrophobicContact CG2-CE2 3.76Å; V122-F743 HydrophobicContact CG2-CZ 3.52Å
123F84.9Confident84.7Confident150 Ų15057.2 Ų57.266%0.65829%0.294SS*.Hα-helixtrans-60.3-47.3-177.5176.4-99.7000112.2G119 Y120 G127G119-F123 VanDerWaalsContact O-CB 3.3Å; G119-F123 WeakPolarHBondContact O-CB 3.48Å; G119-F123 PolarHBondContact O-N 2.9Å; G119-F123 VanDerWaalsContact O-N 3.09Å; Y120-F123 PolarHBondContact O-N 3.14Å; F123-G127 PolarHBondContact O-N 3.47Å
124S82.8Confident85.7Confident23 Ų2356.2 Ų56.216%0.16130%0.298CS..Hα-helixtrans-65.9-47.5-17955.30000112.5Y120 T121 V122 G127 A128Y120-S124 VanDerWaalsContact O-CB 3.32Å; Y120-S124 WeakPolarHBondContact O-CB 3.19Å; Y120-S124 PolarHBondContact O-N 2.91Å; Y120-S124 PolarHBondContact O-OG 3.23Å; T121-S124 PolarHBondContact O-OG 3.39Å; V122-S124 PolarHBondContact O-N 3.45Å; S124-G127 PolarHBondContact O-N 3.43Å; S124-A128 WeakPolarHBondContact O-CB 3.28Å; S124-A128 PolarHBondContact O-N 3.06Å
125N88.2Confident86.7Confident11 Ų1157 Ų576%0.05930%0.299CS..Hα-helixtrans-63.4-44.3178.1-80.7-81.8000112.2T121 F129 Y130 F735 A738 L739T121-N125 WeakPolarHBondContact CG2-ND2 3.47Å; T121-N125 WeakPolarHBondContact O-CB 3.25Å; T121-N125 PolarHBondContact O-N 2.87Å; T121-N125 VanDerWaalsContact O-N 3.11Å; T121-N125 PolarHBondContact O-ND2 3.5Å; N125-F129 PolarHBondContact O-N 2.7Å; N125-Y130 HydrophobicContact CB-CD2 4.49Å; N125-Y130 HydrophobicContact CB-CE2 4.37Å; N125-Y130 WeakPolarHBondContact O-CD2 3.42Å; N125-Y130 PolarHBondContact O-N 3.1Å; N125-F735 WeakPolarHBondContact OD1-CD1 3.36Å; N125-A738 WeakPolarHBondContact OD1-CB 3.25Å; N125-L739 HydrophobicContact CB-CB 4.3Å; N125-L739 HydrophobicContact CB-CD1 4.08Å
126I90.4Very high87.7Confident82 Ų8255.9 Ų55.942%0.42129%0.293SS..Iπ-helixtrans-65.9-45.2179.8-68.2177.3000111.1V122 Y130 M131V122-I126 HydrophobicContact CG1-CD1 3.65Å; V122-I126 HydrophobicContact CG1-CG1 4.48Å; V122-I126 WeakPolarHBondContact O-CB 3.21Å; V122-I126 VanDerWaalsContact O-CG1 3.31Å; V122-I126 WeakPolarHBondContact O-CG1 3.47Å; V122-I126 PolarHBondContact O-N 3.48Å; I126-Y130 PolarHBondContact O-N 3.4Å; I126-M131 HydrophobicContact CG2-CB 4.45Å; I126-M131 WeakPolarHBondContact O-CB 3.38Å; I126-M131 PolarHBondContact O-N 2.75Å
127G84.2Confident88.8Confident32 Ų3256 Ų5633%0.3330%0.295SS..Iπ-helixtrans-69.2-41.2-179.200000113.8F123 S124 P132F123-G127 PolarHBondContact O-N 3.47Å; S124-G127 PolarHBondContact O-N 3.43Å; G127-P132 WeakPolarHBondContact O-CD 3.42Å; G127-P132 WeakPolarHBondContact O-CG 3.44Å
128A85.1Confident89.5Confident7 Ų752.1 Ų52.16%0.05829%0.287CS..Iπ-helixtrans-78-39-177.300000113.2I41 I83 S124I41-A128 WeakPolarHBondContact CD1-O 3.49Å; I83-A128 HydrophobicContact CG2-CB 4.48Å; S124-A128 WeakPolarHBondContact O-CB 3.28Å; S124-A128 PolarHBondContact O-N 3.06Å
129F91.2Very high90.1Very high1 Ų148 Ų480%0.00427%0.268CS..Iπ-helixtrans-120.7-60.2-171-174.3-100.4000114.5I41 N125 P132 M133 L728 W731 L732 F735I41-F129 HydrophobicContact CD1-CB 4.48Å; I41-F129 HydrophobicContact CD1-CD2 3.87Å; N125-F129 PolarHBondContact O-N 2.7Å; F129-P132 WeakPolarHBondContact O-CD 3.06Å; F129-M133 HydrophobicContact CD1-CE 4.39Å; F129-M133 HydrophobicContact CE1-CE 3.84Å; F129-M133 HydrophobicContact CE1-SD 3.68Å; F129-M133 HydrophobicContact CZ-SD 3.85Å; F129-M133 WeakPolarHBondContact O-CB 3.36Å; F129-M133 PolarHBondContact O-N 3.18Å; F129-L728 HydrophobicContact CE2-CD2 3.85Å; F129-L728 HydrophobicContact CZ-CD2 3.98Å; F129-W731 HydrophobicContact CD2-CB 4.49Å; F129-W731 HydrophobicContact CE2-CB 3.82Å; F129-L732 HydrophobicContact CE1-CB 4.41Å; F129-L732 HydrophobicContact CE1-CD1 3.81Å; F129-L732 HydrophobicContact CZ-CB 4.04Å; F129-L732 HydrophobicContact CZ-CD1 4.26Å; F129-F735 HydrophobicContact CB-CB 4.24Å; F129-F735 HydrophobicContact CB-CD1 3.52Å; F129-F735 HydrophobicContact CB-CD2 3.81Å; F129-F735 HydrophobicContact CB-CE1 3.74Å; F129-F735 HydrophobicContact CB-CE2 4.01Å; F129-F735 HydrophobicContact CB-CG 3.56Å; F129-F735 HydrophobicContact CB-CZ 3.99Å; F129-F735 HydrophobicContact CD1-CB 3.67Å; F129-F735 AromaticContact CD1-CD2 3.98Å; F129-F735 HydrophobicContact CD1-CD2 3.98Å; F129-F735 AromaticContact CD1-CG 3.82Å; F129-F735 HydrophobicContact CD1-CG 3.82Å; F129-F735 AromaticContact CD2-CD2 3.24Å; F129-F735 HydrophobicContact CD2-CD2 3.24Å; F129-F735 AromaticContact CD2-CE2 3.46Å; F129-F735 HydrophobicContact CD2-CE2 3.46Å; F129-F735 VanDerWaalsContact CD2-CE2 3.46Å; F129-F735 AromaticContact CD2-CG 3.86Å; F129-F735 HydrophobicContact CD2-CG 3.86Å; F129-F735 HydrophobicContact CD2-CZ 4.23Å; F129-F735 HydrophobicContact CE1-CB 4.12Å; F129-F735 HydrophobicContact CE1-CD2 4.38Å; F129-F735 HydrophobicContact CE1-CG 4.47Å; F129-F735 AromaticContact CE2-CD2 3.72Å; F129-F735 HydrophobicContact CE2-CD2 3.72Å; F129-F735 HydrophobicContact CE2-CE2 4.14Å; F129-F735 HydrophobicContact CG-CB 3.9Å; F129-F735 AromaticContact CG-CD1 3.99Å; F129-F735 HydrophobicContact CG-CD1 3.99Å; F129-F735 AromaticContact CG-CD2 3.4Å; F129-F735 HydrophobicContact CG-CD2 3.4Å; F129-F735 HydrophobicContact CG-CE1 4.42Å; F129-F735 AromaticContact CG-CE2 3.89Å; F129-F735 HydrophobicContact CG-CE2 3.89Å; F129-F735 AromaticContact CG-CG 3.47Å; F129-F735 HydrophobicContact CG-CG 3.47Å; F129-F735 VanDerWaalsContact CG-CG 3.47Å; F129-F735 HydrophobicContact CG-CZ 4.38Å; F129-F735 HydrophobicContact CZ-CD2 4.26Å
130Y93Very high90.6Very high43 Ų4346.6 Ų46.617%0.16925%0.246CC..Iπ-helixtrans-68.4-45.1-165.5-69.4-85.5000113.9N125 I126 M133 I134 F735 I736 L739N125-Y130 HydrophobicContact CB-CD2 4.49Å; N125-Y130 HydrophobicContact CB-CE2 4.37Å; N125-Y130 WeakPolarHBondContact O-CD2 3.42Å; N125-Y130 PolarHBondContact O-N 3.1Å; I126-Y130 PolarHBondContact O-N 3.4Å; Y130-M133 HydrophobicContact CD1-CE 3.72Å; Y130-M133 HydrophobicContact CE1-CE 4.22Å; Y130-M133 PolarHBondContact O-N 3.36Å; Y130-I134 WeakPolarHBondContact O-CG1 3.4Å; Y130-I134 PolarHBondContact O-N 2.98Å; Y130-F735 HydrophobicContact CE2-CB 4.13Å; Y130-F735 VanDerWaalsContact OH-C 3.32Å; Y130-F735 PolarHBondContact OH-O 3.19Å; Y130-I736 WeakPolarHBondContact OH-CA 3.15Å; Y130-I736 WeakPolarHBondContact OH-CG1 3.29Å; Y130-I736 PolarHBondContact OH-N 3.23Å; Y130-L739 HydrophobicContact CD2-CD2 4.45Å; Y130-L739 HydrophobicContact CE2-CB 4.39Å; Y130-L739 HydrophobicContact CE2-CD2 3.78Å
131M93.6Very high91.2Very high115 Ų11547 Ų4757%0.56726%0.257SS*.Hα-helixtrans-64.6-49178-179.8-75.7178.600111.6I126 M133 I134 F135I126-M131 HydrophobicContact CG2-CB 4.45Å; I126-M131 WeakPolarHBondContact O-CB 3.38Å; I126-M131 PolarHBondContact O-N 2.75Å; M131-M133 PolarHBondContact O-N 3.46Å; M131-I134 PolarHBondContact O-N 2.86Å; M131-F135 WeakPolarHBondContact O-CB 3.08Å; M131-F135 PolarHBondContact O-N 3.35Å
132P92.2Very high91.6Very high7 Ų753.4 Ų53.45%0.04528%0.28CS..Hα-helixtrans-58.4-41.1172.1-28.236.3000114.2I41 V45 G127 F129 F135 I136I41-P132 HydrophobicContact CG2-CB 3.24Å; I41-P132 HydrophobicContact CG2-CG 3.85Å; V45-P132 HydrophobicContact CG2-CB 4.16Å; G127-P132 WeakPolarHBondContact O-CD 3.42Å; G127-P132 WeakPolarHBondContact O-CG 3.44Å; F129-P132 WeakPolarHBondContact O-CD 3.06Å; P132-F135 PolarHBondContact O-N 2.96Å; P132-I136 WeakPolarHBondContact O-CB 3.35Å; P132-I136 WeakPolarHBondContact O-CD1 3.49Å; P132-I136 WeakPolarHBondContact O-CG1 3.49Å; P132-I136 PolarHBondContact O-N 2.94Å
133M93.5Very high91.8Very high28 Ų2851.2 Ų51.214%0.13827%0.267CS..Hα-helixtrans-57.6-52.1177.817217467.900111.3F129 Y130 M131 F135 I136 I137 L728F129-M133 HydrophobicContact CD1-CE 4.39Å; F129-M133 HydrophobicContact CE1-CE 3.84Å; F129-M133 HydrophobicContact CE1-SD 3.68Å; F129-M133 HydrophobicContact CZ-SD 3.85Å; F129-M133 WeakPolarHBondContact O-CB 3.36Å; F129-M133 PolarHBondContact O-N 3.18Å; Y130-M133 HydrophobicContact CD1-CE 3.72Å; Y130-M133 HydrophobicContact CE1-CE 4.22Å; Y130-M133 PolarHBondContact O-N 3.36Å; M131-M133 PolarHBondContact O-N 3.46Å; M133-F135 VanDerWaalsContact C-N 3.3Å; M133-F135 PolarHBondContact O-N 3.48Å; M133-I136 PolarHBondContact O-N 3.33Å; M133-I137 HydrophobicContact CG-CD1 3.73Å; M133-I137 VanDerWaalsContact O-CG1 3.3Å; M133-I137 WeakPolarHBondContact O-CG1 3.25Å; M133-I137 PolarHBondContact O-N 2.89Å; M133-L728 HydrophobicContact CB-CD2 3.85Å; M133-L728 HydrophobicContact CG-CD1 3.93Å; M133-L728 HydrophobicContact CG-CD2 3.67Å; M133-L728 HydrophobicContact CG-CG 4.4Å; M133-L728 HydrophobicContact SD-CD1 4.48Å; M133-L728 HydrophobicContact SD-CD2 3.97Å
134I95.2Very high92.2Very high116 Ų11650 Ų5060%0.59526%0.259SS*.Hα-helixtrans-60.6-42.2179.4-67.3165.4000110.3Y130 M131 I137 G138Y130-I134 WeakPolarHBondContact O-CG1 3.4Å; Y130-I134 PolarHBondContact O-N 2.98Å; M131-I134 PolarHBondContact O-N 2.86Å; I134-I137 PolarHBondContact O-N 3.44Å; I134-G138 PolarHBondContact O-N 3.39Å
135F96.1Very high92.7Very high92 Ų9253.5 Ų53.540%0.40427%0.273SS..Hα-helixtrans-63.6-44177.9-171.8-117.2000112.6V45 L49 M131 P132 M133 G138 I139V45-F135 HydrophobicContact CG1-CD1 3.74Å; V45-F135 HydrophobicContact CG1-CE1 3.66Å; V45-F135 HydrophobicContact CG2-CD1 4.49Å; L49-F135 HydrophobicContact CD1-CE1 4.42Å; L49-F135 HydrophobicContact CD2-CE1 4.39Å; L49-F135 HydrophobicContact CD2-CZ 4.34Å; M131-F135 WeakPolarHBondContact O-CB 3.08Å; M131-F135 PolarHBondContact O-N 3.35Å; P132-F135 PolarHBondContact O-N 2.96Å; M133-F135 VanDerWaalsContact C-N 3.3Å; M133-F135 PolarHBondContact O-N 3.48Å; F135-G138 PolarHBondContact O-N 2.86Å; F135-I139 HydrophobicContact CD1-CD1 3.77Å; F135-I139 HydrophobicContact CE1-CD1 3.54Å; F135-I139 HydrophobicContact CE2-CD1 4.46Å; F135-I139 HydrophobicContact CG-CD1 4.33Å; F135-I139 HydrophobicContact CZ-CD1 3.92Å; F135-I139 WeakPolarHBondContact O-CG1 3.28Å; F135-I139 PolarHBondContact O-N 2.92Å
136I95.1Very high92.8Very high2 Ų254.9 Ų54.91%0.0128%0.281CS..Hα-helixtrans-63.1-46.2176.6-68.6162.4000111.1L44 V45 P132 M133 G138 I139 Y140 T724L44-I136 HydrophobicContact CB-CD1 3.95Å; V45-I136 HydrophobicContact CB-CG1 4.4Å; V45-I136 HydrophobicContact CG2-CD1 3.78Å; V45-I136 HydrophobicContact CG2-CG1 3.7Å; P132-I136 WeakPolarHBondContact O-CB 3.35Å; P132-I136 WeakPolarHBondContact O-CD1 3.49Å; P132-I136 WeakPolarHBondContact O-CG1 3.49Å; P132-I136 PolarHBondContact O-N 2.94Å; M133-I136 PolarHBondContact O-N 3.33Å; I136-G138 VanDerWaalsContact C-N 3.32Å; I136-G138 PolarHBondContact O-N 2.93Å; I136-I139 PolarHBondContact O-N 3.31Å; I136-Y140 HydrophobicContact CG2-CD2 3.6Å; I136-Y140 HydrophobicContact CG2-CE2 3.57Å; I136-Y140 WeakPolarHBondContact O-CD2 3.5Å; I136-Y140 PolarHBondContact O-N 3.19Å; I136-T724 HydrophobicContact CG2-CG2 3.44Å; I136-T724 VanDerWaalsContact CG2-CG2 3.44Å
137I94.6Very high92.7Very high95 Ų9552.3 Ų52.349%0.48727%0.272SS..Hα-helixtrans-59.3-45.4177-68.9166.6000110.1M133 I134 I139 Y140 A141 L728M133-I137 HydrophobicContact CG-CD1 3.73Å; M133-I137 VanDerWaalsContact O-CG1 3.3Å; M133-I137 WeakPolarHBondContact O-CG1 3.25Å; M133-I137 PolarHBondContact O-N 2.89Å; I134-I137 PolarHBondContact O-N 3.44Å; I137-I139 PolarHBondContact O-N 3.33Å; I137-Y140 PolarHBondContact O-N 3.48Å; I137-A141 WeakPolarHBondContact O-CB 3.3Å; I137-A141 PolarHBondContact O-N 3.46Å; I137-L728 HydrophobicContact CD1-CD1 4.46Å; I137-L728 HydrophobicContact CG1-CD1 4.39Å
138G95.7Very high92.9Very high37 Ų3754.7 Ų54.738%0.38127%0.271SS..Hα-helixtrans-57.4-44.2174.400000113I134 F135 I136 A141 R142I134-G138 PolarHBondContact O-N 3.39Å; F135-G138 PolarHBondContact O-N 2.86Å; I136-G138 VanDerWaalsContact C-N 3.32Å; I136-G138 PolarHBondContact O-N 2.93Å; G138-A141 PolarHBondContact O-N 3.5Å; G138-R142 WeakPolarHBondContact O-CG 3.5Å; G138-R142 PolarHBondContact O-N 3.37Å
139I96Very high93Very high13 Ų1356.4 Ų56.47%0.06729%0.286CS..Hα-helixtrans-63.3-48.9176.6-68.5163.3000111.3A48 L49 Y52 F135 I136 I137 A141 R142 I143A48-I139 HydrophobicContact CB-CB 4.25Å; A48-I139 HydrophobicContact CB-CD1 4.24Å; A48-I139 HydrophobicContact CB-CG2 3.78Å; A48-I139 WeakPolarHBondContact O-CG2 3.26Å; L49-I139 HydrophobicContact CD2-CD1 3.69Å; L49-I139 HydrophobicContact CD2-CG1 4.48Å; L49-I139 HydrophobicContact CG-CD1 3.96Å; Y52-I139 HydrophobicContact CG-CG2 4.38Å; F135-I139 HydrophobicContact CD1-CD1 3.77Å; F135-I139 HydrophobicContact CE1-CD1 3.54Å; F135-I139 HydrophobicContact CE2-CD1 4.46Å; F135-I139 HydrophobicContact CG-CD1 4.33Å; F135-I139 HydrophobicContact CZ-CD1 3.92Å; F135-I139 WeakPolarHBondContact O-CG1 3.28Å; F135-I139 PolarHBondContact O-N 2.92Å; I136-I139 PolarHBondContact O-N 3.31Å; I137-I139 PolarHBondContact O-N 3.33Å; I139-A141 VanDerWaalsContact C-N 3.33Å; I139-A141 PolarHBondContact O-N 3.06Å; I139-R142 PolarHBondContact O-N 2.92Å; I139-R142 VanDerWaalsContact O-N 3.13Å; I139-I143 HydrophobicContact CG2-CD1 3.84Å; I139-I143 HydrophobicContact CG2-CG1 4.29Å; I139-I143 WeakPolarHBondContact O-CG1 3.45Å; I139-I143 PolarHBondContact O-N 3.05Å
140Y94.4Very high92.7Very high28 Ų2861.8 Ų61.811%0.1131%0.306CS..Hα-helixtrans-64.4-36.2179.4-80.3-68.7000112.6A48 I136 I137 R142 I143 Y144 L720 A721 T724A48-Y140 HydrophobicContact CB-CE2 4.05Å; I136-Y140 HydrophobicContact CG2-CD2 3.6Å; I136-Y140 HydrophobicContact CG2-CE2 3.57Å; I136-Y140 WeakPolarHBondContact O-CD2 3.5Å; I136-Y140 PolarHBondContact O-N 3.19Å; I137-Y140 PolarHBondContact O-N 3.48Å; Y140-R142 PolarHBondContact O-N 3.02Å; Y140-I143 HydrophobicContact CD1-CD1 4.07Å; Y140-I143 HydrophobicContact CE1-CD1 4.38Å; Y140-I143 PolarHBondContact O-N 3.17Å; Y140-Y144 WeakPolarHBondContact O-CB 3.25Å; Y140-Y144 PolarHBondContact O-N 2.89Å; Y140-L720 HydrophobicContact CE1-CB 4.47Å; Y140-L720 PolarHBondContact OH-O 3.48Å; Y140-A721 HydrophobicContact CD1-CB 4.31Å; Y140-A721 HydrophobicContact CE1-CB 4.32Å; Y140-T724 HydrophobicContact CD2-CG2 4.32Å; Y140-T724 HydrophobicContact CE2-CG2 3.8Å; Y140-T724 VanDerWaalsContact CE2-OG1 3.32Å; Y140-T724 WeakPolarHBondContact CE2-OG1 3.27Å; Y140-T724 PolarHBondContact OH-OG1 3.04Å; Y140-T724 VanDerWaalsContact OH-OG1 3.1Å
141A94.1Very high92.1Very high46 Ų4662.8 Ų62.838%0.3831%0.313SS..Hα-helixtrans-60.6-42.9171.600000111.8I137 G138 I139 Y144 Q145I137-A141 WeakPolarHBondContact O-CB 3.3Å; I137-A141 PolarHBondContact O-N 3.46Å; G138-A141 PolarHBondContact O-N 3.5Å; I139-A141 VanDerWaalsContact C-N 3.33Å; I139-A141 PolarHBondContact O-N 3.06Å; A141-Y144 PolarHBondContact O-N 3.12Å; A141-Q145 WeakPolarHBondContact O-CB 3.32Å; A141-Q145 VanDerWaalsContact O-CG 3.28Å; A141-Q145 WeakPolarHBondContact O-CG 3.31Å; A141-Q145 PolarHBondContact O-N 3.35Å
142R95.3Very high91.8Very high145 Ų14565 Ų6555%0.54732%0.316SS..Hα-helixtrans-65.6-40.5173.8-68-57.3-167.6-174.24.3112.7Y52 G138 I139 Y140 Y144 Q145 V146Y52-R142 HydrophobicContact CD2-CB 4.27Å; Y52-R142 HydrophobicContact CE2-CB 3.85Å; G138-R142 WeakPolarHBondContact O-CG 3.5Å; G138-R142 PolarHBondContact O-N 3.37Å; I139-R142 PolarHBondContact O-N 2.92Å; I139-R142 VanDerWaalsContact O-N 3.13Å; Y140-R142 PolarHBondContact O-N 3.02Å; R142-Y144 PolarHBondContact O-N 3.2Å; R142-Q145 PolarHBondContact O-N 3.11Å; R142-V146 WeakPolarHBondContact O-CG2 3.43Å; R142-V146 PolarHBondContact O-N 3.18Å
143I93.3Very high91.3Very high2 Ų273.9 Ų73.91%0.0135%0.348CS..Hα-helixtrans-58.3-47.9173.9-69.1171.3000110.3R51 Y52 V55 I139 Y140 V146 A147 I717R51-I143 HydrophobicContact CB-CD1 3.88Å; Y52-I143 HydrophobicContact CD2-CG1 4.06Å; V55-I143 HydrophobicContact CG2-CG2 4.33Å; I139-I143 HydrophobicContact CG2-CD1 3.84Å; I139-I143 HydrophobicContact CG2-CG1 4.29Å; I139-I143 WeakPolarHBondContact O-CG1 3.45Å; I139-I143 PolarHBondContact O-N 3.05Å; Y140-I143 HydrophobicContact CD1-CD1 4.07Å; Y140-I143 HydrophobicContact CE1-CD1 4.38Å; Y140-I143 PolarHBondContact O-N 3.17Å; I143-V146 PolarHBondContact O-N 3.26Å; I143-A147 VanDerWaalsContact O-CB 3.32Å; I143-A147 WeakPolarHBondContact O-CB 3.36Å; I143-A147 PolarHBondContact O-N 3.02Å; I143-I717 HydrophobicContact CG2-CD1 4.32Å; I143-I717 HydrophobicContact CG2-CG2 3.83Å
144Y92Very high90.4Very high125 Ų12576.3 Ų76.349%0.4937%0.368SS..Hα-helixtrans-62-46.3177.6175.8-91.5000112Y140 A141 R142 V146 A147 R148Y140-Y144 WeakPolarHBondContact O-CB 3.25Å; Y140-Y144 PolarHBondContact O-N 2.89Å; A141-Y144 PolarHBondContact O-N 3.12Å; R142-Y144 PolarHBondContact O-N 3.2Å; Y144-V146 PolarHBondContact O-N 3.46Å; Y144-A147 PolarHBondContact O-N 3.49Å; Y144-R148 WeakPolarHBondContact O-CB 3.46Å; Y144-R148 PolarHBondContact O-N 2.95Å; Y144-R148 WeakPolarHBondContact OH-CD 3.26Å; Y144-R148 PolarHBondContact OH-NE 3.29Å
145Q92.9Very high89.4Confident97 Ų9773.7 Ų73.745%0.45336%0.364SS..Hα-helixtrans-56-49.5175.8-74.8171.36.600111.7A141 R142 A147 R148 A149A141-Q145 WeakPolarHBondContact O-CB 3.32Å; A141-Q145 VanDerWaalsContact O-CG 3.28Å; A141-Q145 WeakPolarHBondContact O-CG 3.31Å; A141-Q145 PolarHBondContact O-N 3.35Å; R142-Q145 PolarHBondContact O-N 3.11Å; Q145-A147 PolarHBondContact O-N 3.39Å; Q145-R148 PolarHBondContact O-N 3.32Å; Q145-A149 VanDerWaalsContact O-CB 3.32Å; Q145-A149 WeakPolarHBondContact O-CB 3.39Å; Q145-A149 PolarHBondContact O-N 3.03Å
146V91.7Very high88.2Confident40 Ų4077.3 Ų77.324%0.24238%0.379CS..Hα-helixtrans-65.9-38.2179.6174.80000111.6V55 T56 R142 I143 Y144 R150V55-V146 HydrophobicContact CG1-CB 4.27Å; V55-V146 HydrophobicContact CG1-CG1 3.77Å; T56-V146 HydrophobicContact CG2-CG1 4.49Å; T56-V146 HydrophobicContact CG2-CG2 4.29Å; R142-V146 WeakPolarHBondContact O-CG2 3.43Å; R142-V146 PolarHBondContact O-N 3.18Å; I143-V146 PolarHBondContact O-N 3.26Å; Y144-V146 PolarHBondContact O-N 3.46Å; V146-R150 WeakPolarHBondContact O-CG 3.3Å; V146-R150 PolarHBondContact O-N 3.38Å; V146-R150 VanDerWaalsContact O-N 3.1Å
147A87.5Confident86.6Confident27 Ų2785.3 Ų85.322%0.22341%0.414CS..Hα-helixtrans-65.7-47.8175.400000112.3I143 Y144 Q145 A149 R150 I151I143-A147 VanDerWaalsContact O-CB 3.32Å; I143-A147 WeakPolarHBondContact O-CB 3.36Å; I143-A147 PolarHBondContact O-N 3.02Å; Y144-A147 PolarHBondContact O-N 3.49Å; Q145-A147 PolarHBondContact O-N 3.39Å; A147-A149 VanDerWaalsContact C-N 3.34Å; A147-A149 PolarHBondContact O-N 3.07Å; A147-R150 PolarHBondContact O-N 2.95Å; A147-I151 WeakPolarHBondContact O-CG1 3.41Å; A147-I151 PolarHBondContact O-N 3.06Å
148R88.4Confident84.9Confident82 Ų8286 Ų8631%0.30942%0.416SS..Hα-helixtrans-62.7-40177.9-158.5179-166.2-161.76.1111.2Y144 Q145 R150 I151 R152 D290Y144-R148 WeakPolarHBondContact O-CB 3.46Å; Y144-R148 PolarHBondContact O-N 2.95Å; Y144-R148 WeakPolarHBondContact OH-CD 3.26Å; Y144-R148 PolarHBondContact OH-NE 3.29Å; Q145-R148 PolarHBondContact O-N 3.32Å; R148-R150 PolarHBondContact O-N 3.4Å; R148-I151 PolarHBondContact O-N 3.42Å; R148-R152 WeakPolarHBondContact O-CG 3.32Å; R148-R152 PolarHBondContact O-N 2.92Å; R148-D290 IonicContact CZ-OD1 3.96Å; R148-D290 IonicContact CZ-OD2 3.86Å; R148-D290 VanDerWaalsContact NH2-CG 3.28Å; R148-D290 IonicContact NH2-OD1 3.16Å; R148-D290 PolarHBondContact NH2-OD1 3.4Å; R148-D290 VanDerWaalsContact NH2-OD1 3.16Å; R148-D290 IonicContact NH2-OD2 2.73Å; R148-D290 PolarHBondContact NH2-OD2 2.96Å
149A88.1Confident82.8Confident44 Ų4487.4 Ų87.436%0.36442%0.419SS..Hα-helixtrans-61.6-41174.600000112.7Q145 A147 R153Q145-A149 VanDerWaalsContact O-CB 3.32Å; Q145-A149 WeakPolarHBondContact O-CB 3.39Å; Q145-A149 PolarHBondContact O-N 3.03Å; A147-A149 VanDerWaalsContact C-N 3.34Å; A147-A149 PolarHBondContact O-N 3.07Å; A149-R153 WeakPolarHBondContact O-CG 3.15Å; A149-R153 PolarHBondContact O-N 3.02Å; A149-R153 VanDerWaalsContact O-N 3.11Å
150R84.1Confident80.7Confident113 Ų11389.6 Ų89.643%0.42645%0.445SS..Hα-helixtrans-66.1-42.2174.8-74.3177.2178.4-178.85.2112.4V55 T56 V146 A147 R148 R152 R153 S154V55-R150 PolarHBondContact O-NH1 3.21Å; V55-R150 PolarHBondContact O-NH2 2.9Å; T56-R150 PolarHBondContact O-NH2 3.37Å; V146-R150 WeakPolarHBondContact O-CG 3.3Å; V146-R150 PolarHBondContact O-N 3.38Å; V146-R150 VanDerWaalsContact O-N 3.1Å; A147-R150 PolarHBondContact O-N 2.95Å; R148-R150 PolarHBondContact O-N 3.4Å; R150-R152 PolarHBondContact O-N 2.97Å; R150-R153 PolarHBondContact O-N 2.9Å; R150-S154 PolarHBondContact O-N 3.27Å; R150-S154 PolarHBondContact O-OG 3.48Å
151I81.3Confident78.8Confident65 Ų6592.7 Ų92.733%0.33347%0.467SS..Hα-helixtrans-58.3-48.1176.2-67.4163.6000110.8A147 R148 R153 S154 A155A147-I151 WeakPolarHBondContact O-CG1 3.41Å; A147-I151 PolarHBondContact O-N 3.06Å; R148-I151 PolarHBondContact O-N 3.42Å; I151-R153 PolarHBondContact O-N 3.3Å; I151-S154 PolarHBondContact O-N 2.97Å; I151-A155 PolarHBondContact O-N 3.38Å
152R85.4Confident76.6Confident162 Ų16292.6 Ų92.661%0.61146%0.464SS*.Hα-helixtrans-60.4-41.8177.4-72.2179.3173.3-177.8-3.5112.2R148 R150 S154 A155 F156R148-R152 WeakPolarHBondContact O-CG 3.32Å; R148-R152 PolarHBondContact O-N 2.92Å; R150-R152 PolarHBondContact O-N 2.97Å; R152-S154 PolarHBondContact O-N 3.37Å; R152-A155 PolarHBondContact O-N 3.39Å; R152-F156 PolarHBondContact O-N 2.84Å
153R82.8Confident74.2Confident192 Ų19291.8 Ų91.873%0.72547%0.47SS*.Hα-helixtrans-63.9-37.3174.6-71.4175.2-176.7-172.71.4113.1A149 R150 I151 K157A149-R153 WeakPolarHBondContact O-CG 3.15Å; A149-R153 PolarHBondContact O-N 3.02Å; A149-R153 VanDerWaalsContact O-N 3.11Å; R150-R153 PolarHBondContact O-N 2.9Å; I151-R153 PolarHBondContact O-N 3.3Å; R153-K157 PolarHBondContact O-N 3.42Å
154S74.2Confident72.1Confident79 Ų7998.7 Ų98.755%0.55251%0.507SS*.Hα-helixtrans-68.1-37.6175.5-64.50000112.8R150 I151 R152R150-S154 PolarHBondContact O-N 3.27Å; R150-S154 PolarHBondContact O-OG 3.48Å; I151-S154 PolarHBondContact O-N 2.97Å; R152-S154 PolarHBondContact O-N 3.37Å
155A74.6Confident69.6Low62 Ų6296.7 Ų96.751%0.51251%0.51SS..Hα-helixtrans-63.5-49.1177.200000111.7I151 R152 K157 Q158 S159I151-A155 PolarHBondContact O-N 3.38Å; R152-A155 PolarHBondContact O-N 3.39Å; A155-K157 VanDerWaalsContact C-N 3.31Å; A155-K157 PolarHBondContact O-N 3.12Å; A155-Q158 PolarHBondContact O-N 3.09Å; A155-S159 PolarHBondContact O-N 3.31Å
156F71.5Confident67.3Low167 Ų16798.8 Ų98.873%0.73252%0.521SS*.Hα-helixtrans-60.7-35.7-177.9-171.5-97.8000113.7R152 Q158 S159 G160R152-F156 PolarHBondContact O-N 2.84Å; F156-Q158 PolarHBondContact O-N 3.38Å; F156-S159 PolarHBondContact O-OG 3.48Å; F156-G160 PolarHBondContact O-N 2.96Å
157K61Low64.9Low171 Ų171101.5 Ų101.574%0.74354%0.542SS*.Hα-helixtrans-66.3-23.6174.5-75.5-165.2172.1-164.80113.7R153 A155 T161R153-K157 PolarHBondContact O-N 3.42Å; A155-K157 VanDerWaalsContact C-N 3.31Å; A155-K157 PolarHBondContact O-N 3.12Å; K157-T161 PolarHBondContact O-OG1 3.49Å
158Q57.8Low62.8Low110 Ų110107.4 Ų107.451%0.51457%0.565SS.*Hα-helixtrans-87.6-29.2-176.2-155.8168.5-25.700112.3A155 F156 T161 S162A155-Q158 PolarHBondContact O-N 3.09Å; F156-Q158 PolarHBondContact O-N 3.38Å; Q158-T161 PolarHBondContact O-OG1 3.32Å; Q158-S162 PolarHBondContact O-N 3.02Å
159S53.3Low60.4Low65 Ų65113.8 Ų113.846%0.45559%0.589SS.*Hα-helixtrans-72.4-28.5170.543.20000113.6A155 F156 T161 S162A155-S159 PolarHBondContact O-N 3.31Å; F156-S159 PolarHBondContact O-OG 3.48Å; S159-T161 PolarHBondContact O-N 3.11Å; S159-S162 PolarHBondContact O-OG 3.39Å; S159-S162 VanDerWaalsContact O-OG 3.11Å
160G51.3Low57.9Low60 Ų60121.1 Ų121.162%0.61961%0.613SS**Hα-helixtrans-71.3-14.3176.100000114.9F156F156-G160 PolarHBondContact O-N 2.96Å
161T54.3Low56Low92 Ų92124.1 Ų124.156%0.56463%0.632SS**Hα-helixtrans-112.1-20.9-17740.20000113.9K157 Q158 S159 N163 L164K157-T161 PolarHBondContact O-OG1 3.49Å; Q158-T161 PolarHBondContact O-OG1 3.32Å; S159-T161 PolarHBondContact O-N 3.11Å; T161-N163 VanDerWaalsContact C-N 3.26Å; T161-N163 PolarHBondContact O-N 2.9Å; T161-L164 PolarHBondContact O-N 3.37Å
162S47.7Very low54Low45 Ų45127 Ų12732%0.31566%0.655SS.*Hα-helixtrans-61.8-31.5176.349.60000113.7Q158 S159 L164 M166Q158-S162 PolarHBondContact O-N 3.02Å; S159-S162 PolarHBondContact O-OG 3.39Å; S159-S162 VanDerWaalsContact O-OG 3.11Å; S162-L164 VanDerWaalsContact C-N 3.31Å; S162-L164 PolarHBondContact O-N 3.19Å; S162-M166 WeakPolarHBondContact O-CE 3.17Å
163N46.1Very low51.8Low128 Ų128128.1 Ų128.168%0.68467%0.667SS**THydrogen-bonded Turntrans-80.3-12.3-175.3-63.98.5000113.1T161T161-N163 VanDerWaalsContact C-N 3.26Å; T161-N163 PolarHBondContact O-N 2.9Å
164L48.2Very low49.4Very low147 Ų147124.3 Ų124.377%0.7767%0.67SS**THydrogen-bonded Turntrans-91.8-8.8179.1-130.676.4000113.9T161 S162T161-L164 PolarHBondContact O-N 3.37Å; S162-L164 VanDerWaalsContact C-N 3.31Å; S162-L164 PolarHBondContact O-N 3.19Å
165C38.8Very low47.5Very low83 Ų83129.9 Ų129.956%0.56168%0.684SS**SBendtrans-125.10.6-171.6-158.80000114.2
166M44.5Very low45.5Very low140 Ų140136.2 Ų136.269%0.6970%0.703SS**SBendtrans-99.9-4.6174.9-85.8-172.9-76.400114.7S162S162-M166 WeakPolarHBondContact O-CE 3.17Å
167S42.8Very low43.8Very low98 Ų98136 Ų13669%0.68571%0.705SS**SBendtrans-81.2-20.5177.649.10000114.6
168Q43.7Very low42.4Very low150 Ų150134.7 Ų134.770%0.70170%0.701SS**SBendtrans-101.5-8-170.8-86.3-178.8-31.500116.3
169W36.9Very low41.1Very low217 Ų217136.4 Ų136.482%0.82271%0.709SS**SBendtrans-11520.7-170.8-67.794.9000115.1
170K36.1Very low40Very low197 Ų197140.3 Ų140.386%0.85772%0.72SS**  trans-112.971.7165.2-86.4-169.2171.9-175.50110.9
171Q44Very low38.9Very low176 Ų176147.9 Ų147.982%0.82273%0.73SS**  trans-92.5119.7157.6-71.1-168.7-1.600108.9Q173Q171-Q173 PolarHBondContact O-N 3.04Å
172P40.2Very low37.9Very low127 Ų127149.5 Ų149.583%0.82573%0.731SS**  trans-74.5115.1172.729.4-31000109.6
173Q38Very low37.1Very low184 Ų184156.9 Ų156.986%0.8675%0.753SS**  trans-73.6156.8170.5-76.7-172.7-27.200111.7Q171Q171-Q173 PolarHBondContact O-N 3.04Å
174S32.3Very low36.4Very low113 Ų113155.4 Ų155.479%0.7975%0.753SS**  trans79.8149.3175.1800000117.6
175K34.4Very low35.6Very low196 Ų196157.1 Ų157.185%0.85276%0.755SS**  trans81.251.5177.1-54.9-167.1176.1-170.30118.6Q177K175-Q177 PolarHBondContact O-N 3.14Å
176Q32.8Very low35.1Very low195 Ų195163 Ų16391%0.91177%0.765SS**  trans-78.591.4133.5-85.7-173.1-24.900108.9
177Q35.4Very low34.7Very low163 Ų163164 Ų16476%0.76277%0.768SS**  trans-165.5122.5148.7-114.3170.8-19.600111.7K175K175-Q177 PolarHBondContact O-N 3.14Å
178Q32.5Very low34.5Very low142 Ų142166.6 Ų166.666%0.66477%0.768SS**  trans54.2111.4148.8-75.7161.4-66.600121.2
179Q30.9Very low34.2Very low147 Ų147167.9 Ų167.969%0.68778%0.779SS**  90.1137.7119.8-76.5171.9-58.500122.1
180H30.2Very low34.3Very low147 Ų147163.5 Ų163.568%0.68177%0.772SS**  trans49.581.9149-70.4-73.9000119.7
181R28Very low34.6Very low219 Ų219160.5 Ų160.583%0.82677%0.771SS**  168.8162.797.9-89.1163.7-80.8-150.4-1.9110.1
182Q32.2Very low34.1Very low126 Ų126157.8 Ų157.859%0.58977%0.77SS**  cis161.2137.4-17-172.7-177.53.900103.5
183Y31.1Very low34.1Very low200 Ų200162.9 Ų162.978%0.78477%0.772SS**  trans66.3150.5179.8-57.5-58.1000116.4
184S30.9Very low33.9Very low97 Ų97158.1 Ų158.168%0.67876%0.759SS**  cis-160.9171.4-23.4-1610000111.2
185F31.6Very low34.2Very low182 Ų182162.1 Ų162.180%0.79876%0.758SS**  trans56.582.4157.7-100.8-113.6000121
186R29.2Very low34.6Very low208 Ų208158.1 Ų158.179%0.78575%0.753SS**  24.6120.1109.8-160.6-171.6-153.2-178.37.2117.6
187H36.3Very low34.8Very low160 Ų160154.6 Ų154.674%0.74175%0.749SS**  -173.6147109.6-107.6-85.5000113.3
188H37.2Very low34.9Very low152 Ų152156.6 Ų156.670%0.70475%0.75SS**  trans-80.2147.5177.2-90.7-93.1000112.6N190H188-N190 PolarHBondContact ND1-OD1 3.35Å
189L39Very low35Very low178 Ų178157.4 Ų157.493%0.93276%0.758SS**  trans-136.6124.6138.9-101.5170.7000109.2
190N38Very low35.3Very low124 Ų124155.9 Ų155.966%0.66376%0.764SS**  trans-103.1119.2-173.3-70.8-21.4000111.5H188H188-N190 PolarHBondContact ND1-OD1 3.35Å
191T42Very low35.7Very low135 Ų135158.7 Ų158.783%0.82878%0.775SS**  trans-145.196.1153.942.50000110.2
192C34.4Very low36Very low119 Ų119155.4 Ų155.480%0.80477%0.773SS**  trans-90.2128.7167.9-175.90000109.3
193W39.3Very low36.1Very low233 Ų233159.7 Ų159.788%0.88378%0.784SS**  trans-110.291.9172.1-100.453.1000110
194C34.3Very low36.3Very low85 Ų85156.9 Ų156.957%0.57478%0.782SS**  trans-88.5120.4171.1-172.90000109.8C196C194-C196 PolarHBondContact O-N 3.16Å; C194-C196 VanDerWaalsContact O-N 3.15Å
195Y38.9Very low36.5Very low196 Ų196158 Ų15877%0.76979%0.79SS**THydrogen-bonded Turntrans-78.46.9-173.2-146.1-95.3000114.2
196C42.3Very low36.6Very low112 Ų112156 Ų15676%0.75779%0.792SS**THydrogen-bonded Turntrans-89.2-0.4-172-61.70000115.1C194C194-C196 PolarHBondContact O-N 3.16Å; C194-C196 VanDerWaalsContact O-N 3.15Å
197C35.9Very low36.7Very low122 Ų122155 Ų15582%0.82479%0.794SS**  trans-109.451.3-173.1-64.10000113.1
198R37.8Very low36.6Very low205 Ų205154.9 Ų154.977%0.77480%0.798SS**  trans-142.955.2-179.7-158.6-177.4179.2164.32.4114.9
199D36.3Very low36.6Very low158 Ų158153.7 Ų153.785%0.84580%0.801SS**  -168.9109.3127.5-103.6-31.3000111.1
200S35.8Very low36.3Very low116 Ų116151.2 Ų151.281%0.81180%0.795SS**  trans-153.794.3158.9-174.60000108.6
201K39.6Very low36Very low206 Ų206149.8 Ų149.890%0.89680%0.801SS**  trans-93.581.1166-80.6-174.5177.5177.20109.2
202N33.7Very low35.7Very low149 Ų149155.2 Ų155.280%0.79781%0.806SS**  trans-140.2152.7140.2-147.1-10000110.5
203R34.2Very low35.9Very low217 Ų217156.8 Ų156.882%0.81981%0.807SS**  trans-106.5166.1-161.8-55.1178.7-179.1168.6-0.2113.1
204N35.2Very low35.7Very low140 Ų140153.2 Ų153.275%0.74981%0.805SS**  trans107.1136.5150.5-55.2-26.1000116.2
205S34.6Very low35.9Very low120 Ų120153.6 Ų153.684%0.83981%0.806SS**  trans62.6137.8-167.579.50000113.6
206V33.8Very low35.7Very low140 Ų140154 Ų15485%0.84881%0.808SS**  cis-127.1152.32.9176.50000109.6
207K31.9Very low35.4Very low188 Ų188155.8 Ų155.882%0.81781%0.809SS**  trans-86.6160.6176.3-68.5178.3178.7175.50112.2
208L33.6Very low35.3Very low158 Ų158156.9 Ų156.983%0.82781%0.807SS**  trans147.4100.2138.4-78161.2000108.9
209V38.1Very low35.3Very low127 Ų127151 Ų15177%0.7780%0.797SS**  92.2129.981.9158.10000111.6
210P32.2Very low35.4Very low125 Ų125149.8 Ų149.881%0.81279%0.791SS**  trans-90.6171-162.436.6-38.6000115.4
211A31.2Very low35.5Very low94 Ų94150.2 Ų150.278%0.77778%0.784SS**  trans-70.9152.1-171.300000116.1
212R35.6Very low35.5Very low250 Ų250146.3 Ų146.394%0.94377%0.773SS**  trans-145.9165.3146.2-111.4174.7-175.7177.50.9110.5
213N39.3Very low35.7Very low151 Ų151146.2 Ų146.281%0.80777%0.772SS**  trans-94.1169.1-164.5-65.4-21.7000114
214N36.1Very low35.9Very low158 Ų158140.6 Ų140.685%0.84577%0.766SS**  trans76.7156.4163.9-79.18.7000117.8
215P37Very low35.9Very low93 Ų93140.8 Ų140.860%0.60477%0.767SS**  trans-117.2-158.3-151.641.9-28.1000112.9
216Y35.8Very low36Very low204 Ų204141.8 Ų141.880%0.876%0.763SS**  trans96.6118.5174-57.5-71.9000117
217L36.6Very low36.1Very low150 Ų150141.4 Ų141.479%0.78576%0.756SS**  trans51.5104.3151.1-79.175.5000121.3
218N34Very low36.3Very low145 Ų145138.9 Ų138.978%0.77576%0.757SS**  76.3139.8105.1-158.720.3000121.7
219S37.2Very low36.3Very low82 Ų82138.3 Ų138.357%0.57376%0.755SS**  trans80109.8156.6-870000122.4
220N38.4Very low36.2Very low132 Ų132140.2 Ų140.271%0.70676%0.755SS**  75.3117.4123.1-64.10.8000123
221N38.4Very low36.3Very low125 Ų125141 Ų14167%0.66875%0.748SS**  87.7114.7126.2-66.80.6000123.1
222N38.7Very low36.4Very low125 Ų125143 Ų14367%0.66875%0.746SS**  84.5108124.7-61-5.6000123
223N38Very low36.5Very low147 Ų147136 Ų13679%0.78673%0.733SS**  85.2148.2123.5-70.6-5.9000124.1
224S38.1Very low36.1Very low99 Ų99134 Ų13469%0.69273%0.73SS**  trans90.982.9149-62.60000121.8
225N36.3Very low36Very low144 Ų144131.5 Ų131.577%0.7773%0.726SS**  59154.9110.9-65.9-1.5000124.4
226N36.2Very low35.7Very low140 Ų140132 Ų13275%0.74973%0.731SS**  trans92.5153.3160.5-59.2-30.2000118.8
227N35.6Very low35.6Very low132 Ų132131.6 Ų131.671%0.70674%0.737SS**  cis171.7117-48.2-102.2-20.1000109
228T35.9Very low35.3Very low136 Ų136131.1 Ų131.183%0.83474%0.74SS**  trans173.9127.1154.238.20000106.9
229N33.1Very low35.3Very low146 Ų146128.1 Ų128.178%0.78174%0.735SS**  cis74.5104.435.3-62.9-4.3000115
230Q36.1Very low34.9Very low166 Ų166132 Ų13278%0.77675%0.749SS**  -177126.2116.8-93-171.4-68.300108.8
231E34.8Very low34.7Very low142 Ų142131.7 Ų131.766%0.66475%0.752SS**  74.6142.280.2-69.4-163.3115.800114.6
232N32.6Very low34.1Very low136 Ų136133 Ų13373%0.72776%0.76SS**  cis-157.4176.5-21.4-115-20.6000109.7
233P38.8Very low33.5Very low104 Ų104133.6 Ų133.668%0.67577%0.772SS**  trans-111.9-175-162.643.5-38.7000114.8
234S30.5Very low33.2Very low107 Ų107131 Ų13175%0.74876%0.762SS**  164.4167121.155.50000114.5
235S33Very low32.7Very low107 Ų107135.8 Ų135.875%0.74878%0.775SS**  trans60.7122.1176.7690000116.7
236S30.8Very low32.4Very low104 Ų104135.5 Ų135.573%0.72777%0.772SS**  cis93105.427.381.50000115.2
237Q34.3Very low32.2Very low195 Ų195132.7 Ų132.791%0.91178%0.777SS**  -166.3157.3111.2-102.1171.51700110.8
238V31.1Very low31.9Very low140 Ų140137.4 Ų137.485%0.84879%0.785SS**  trans-103.8133.9177.6174.30000108.3
239A33.5Very low31.7Very low82 Ų82140.2 Ų140.268%0.67879%0.785SS**  trans-131120.7168.300000108.8T241A239-T241 PolarHBondContact O-N 3.34Å; A239-T241 PolarHBondContact O-OG1 3.32Å
240D28.4Very low31.4Very low163 Ų163139.7 Ų139.787%0.87279%0.788SS**  trans-60.9124.5171.5-75.4-58.1000109.6
241T33.6Very low31.1Very low125 Ų125139.8 Ų139.877%0.76779%0.792SS**  trans-145.4130.117214.60000110.6A239 C243A239-T241 PolarHBondContact O-N 3.34Å; A239-T241 PolarHBondContact O-OG1 3.32Å; T241-C243 PolarHBondContact O-N 3.19Å; T241-C243 VanDerWaalsContact O-N 3.09Å
242D25.8Very low30.8Very low154 Ų154139 Ų13982%0.82480%0.797SS**  trans-64.5108179-77.9-69.8000111.6T244D242-T244 HydrophobicContact CB-CG2 4.38Å; D242-T244 PolarHBondContact O-N 3.47Å
243C27.7Very low30.4Very low137 Ų137140.1 Ų140.193%0.92680%0.802SS**  trans-69.377163-84.40000110.2T241T241-C243 PolarHBondContact O-N 3.19Å; T241-C243 VanDerWaalsContact O-N 3.09Å
244T30.5Very low29.8Very low93 Ų93141.3 Ų141.357%0.57181%0.807SS**  trans-49.7142178.552.50000113.3D242 I246D242-T244 HydrophobicContact CB-CG2 4.38Å; D242-T244 PolarHBondContact O-N 3.47Å; T244-I246 PolarHBondContact O-N 2.99Å; T244-I246 WeakPolarHBondContact OG1-CD1 3.44Å
245M29.1Very low29.9Very low198 Ų198145 Ų14598%0.97581%0.812SS**  trans-72.670.2172.1-79.8-90.2-70.300111.4
246I29.3Very low29.6Very low138 Ų138147.3 Ų147.371%0.70882%0.815SS**  trans-105.197.2175.9-62.5179000109.9T244T244-I246 PolarHBondContact O-N 2.99Å; T244-I246 WeakPolarHBondContact OG1-CD1 3.44Å
247G32.6Very low29.6Very low82 Ų82147.5 Ų147.585%0.84581%0.814SS**  trans-127.259.3173.200000111.4
248R27.5Very low29.3Very low231 Ų231144 Ų14487%0.87281%0.806SS**  trans-77.4165173.2-95.9-178.4169.6173.7-4.1111.2
249K33.2Very low29.3Very low194 Ų194144.2 Ų144.284%0.84380%0.801SS**  trans90.8103.7178.2-56.2177.1179.2-178.10112
250T25.9Very low29Very low136 Ų136145 Ų14583%0.83480%0.797SS**  cis7379.449.1-46.10000112.1
251I30.8Very low29.1Very low168 Ų168146.2 Ų146.286%0.86280%0.8SS**  trans-129.7148151.7-64.2-175.1000107.4
252T27.6Very low28.9Very low126 Ų126147.7 Ų147.777%0.77380%0.8SS**  trans-76179.1-168.142.60000114.7T254T252-T254 PolarHBondContact O-N 3.3Å
253L23.9Very low29Very low158 Ų158146.3 Ų146.383%0.82779%0.792SS**  trans-48.5134.9164.1-79.364.3000110.7
254T27.1Very low29.1Very low129 Ų129145.6 Ų145.679%0.79178%0.779SS**  -172.2168.5106.633.80000111.1T252T252-T254 PolarHBondContact O-N 3.3Å
255E31.5Very low29.1Very low184 Ų184149 Ų14986%0.8679%0.786SS**  trans76.2142.5163.1-46.6-155.4144.900120.2
256I26.5Very low29.2Very low157 Ų157147 Ų14781%0.80577%0.774SS**  trans-119.5121.2-177.8-62.3166.1000108.1
257P31.1Very low29.1Very low107 Ų107146.1 Ų146.170%0.69577%0.771SS**  trans-98.7108.7170.833-28.1000111.8
258T28.1Very low28.9Very low123 Ų123148.7 Ų148.776%0.75576%0.764SS**  trans-76.5125.8166.9-50.30000109.6
259I31.8Very low29Very low144 Ų144145 Ų14574%0.73876%0.761SS**  trans-132.299.4179.3-57.8176.5000106.8
260V27.3Very low28.7Very low98 Ų98143.3 Ų143.359%0.59476%0.756SS**  6510466.1-175.50000112.7M262V260-M262 HydrophobicContact CG1-CG 4.42Å
261M30Very low28.9Very low188 Ų188143.2 Ų143.293%0.92675%0.75SS**  trans-12787.2161.6-81.9-73.2-75.300109.2
262M29.5Very low28.9Very low157 Ų157143 Ų14377%0.77375%0.751SS**  trans-55.6158.1155.2-88.7-174.7-179.700111V260V260-M262 HydrophobicContact CG1-CG 4.42Å
263N27.5Very low28.7Very low125 Ų125142.4 Ų142.467%0.66875%0.751SS**  cis-168.3177.2-13.3-162-7.4000107.5
264N30.2Very low28.9Very low121 Ų121142.5 Ų142.565%0.64775%0.751SS**  trans68148.8170-60.8-53.1000116.4
265K30.3Very low28.9Very low164 Ų164143.5 Ų143.571%0.71375%0.751SS**  cis-158.9159.7-9.6-117.9171.4-177.6-176.70109
266H31Very low28.8Very low157 Ų157143.2 Ų143.273%0.72775%0.75SS**  trans25.4144.2148.1-70-56.2000121.2
267N27.6Very low28.9Very low120 Ų120144.8 Ų144.864%0.64275%0.751SS**  cis-171.5163.1-12.1-145.40.7000106.1
268I28.2Very low28.7Very low135 Ų135147 Ų14769%0.69276%0.757SS**  trans42.9118.8150.7-60.8161.1000117
269N29.3Very low28.7Very low153 Ų153149.1 Ų149.182%0.81876%0.764SS**  cis-156.2162.740.9-145.2-13.6000112.3
270H28.3Very low28.5Very low159 Ų159148.4 Ų148.474%0.73676%0.76SS**  trans-86.5170.2174.1-129-104000111.9
271N29.5Very low28.4Very low134 Ų134152.3 Ų152.372%0.71777%0.769SS**  trans71.175163.7-51.6-19.3000117.6
272N29.9Very low28.2Very low163 Ų163149.5 Ų149.587%0.87276%0.762SS**  trans-159.7171.8136.7-113-45.1000112
273C25Very low28.1Very low115 Ų115147.1 Ų147.178%0.77776%0.761SS**  trans67.646.3174.4-62.40000118
274I27.1Very low28.1Very low159 Ų159147.5 Ų147.582%0.81577%0.768SS**  trans-67.9143.4133.8-63.2177.9000106.7
275N27.8Very low28Very low150 Ų150149.3 Ų149.380%0.80278%0.776SS**SBendtrans83.674.6-173.9-53.3-37.1000117.3
276Q29.4Very low28.1Very low178 Ų178145.9 Ų145.983%0.83277%0.771SS**  trans-155.4-15148.2-122.1173.940.700117N278Q276-N278 PolarHBondContact O-N 3.37Å
277F28.9Very low28Very low190 Ų190147.8 Ų147.883%0.83377%0.773SS**  trans-8763.2-176.4-82.2-81.5000115I280F277-I280 HydrophobicContact CD1-CD1 4.25Å; F277-I280 HydrophobicContact CE1-CD1 4.07Å
278N27.1Very low28.2Very low155 Ų155147.7 Ų147.783%0.82978%0.776SS**  trans-130.156.7170.9-107.3-19.6000111.6Q276Q276-N278 PolarHBondContact O-N 3.37Å
279N26.8Very low28.4Very low166 Ų166146.9 Ų146.989%0.88877%0.773SS**  trans-17365.4163.2-101.9-36.5000114.3
280I28.1Very low28.5Very low130 Ų130144.7 Ų144.767%0.66776%0.762SS**  trans-130.5119.5166.2-59.7-178000110.2F277 V282F277-I280 HydrophobicContact CD1-CD1 4.25Å; F277-I280 HydrophobicContact CE1-CD1 4.07Å; I280-V282 PolarHBondContact O-N 2.98Å
281K24.6Very low28.5Very low179 Ų179145.9 Ų145.978%0.77877%0.77SS**  trans-74.1105.2173.8-81177.9175.9169.30110.2S283K281-S283 PolarHBondContact O-N 2.79Å
282V27.2Very low28.4Very low129 Ų129148.3 Ų148.378%0.78278%0.777SS**  trans-68.1118.2170.2179.50000109.8I280I280-V282 PolarHBondContact O-N 2.98Å
283S26.1Very low28.4Very low107 Ų107147.4 Ų147.475%0.74878%0.778SS**  trans-89.1125.116650.20000109.5K281 I285K281-S283 PolarHBondContact O-N 2.79Å; S283-I285 PolarHBondContact O-N 2.78Å
284T27.4Very low28.4Very low134 Ų134152 Ų15282%0.82278%0.784SS**  trans-79.5111.5-166.130.10000113.5
285I28Very low28.6Very low159 Ų159150 Ų15082%0.81578%0.784SS**PPolyproline II helixtrans-83.3126.2164.2-57.4175.8000107.7S283S283-I285 PolarHBondContact O-N 2.78Å
286P32.6Very low28.5Very low91 Ų91149.8 Ų149.859%0.59178%0.783SS**PPolyproline II helixtrans-74.5134.4-178.729.2-33.8000111.8
287Y29.2Very low28.5Very low198 Ų198150.9 Ų150.978%0.77678%0.781SS**PPolyproline II helixtrans-58.2159.4-174.4-139-118.5000114.8D289Y287-D289 VanDerWaalsContact CD1-OD1 3.31Å; Y287-D289 WeakPolarHBondContact CD1-OD1 3.22Å; Y287-D289 WeakPolarHBondContact CE1-OD1 3.41Å
288V31.7Very low28.5Very low118 Ų118153.4 Ų153.472%0.71579%0.787SS**  trans-137.5110.1165.5176.30000107.4D290V288-D290 PolarHBondContact O-N 2.86Å
289D32.1Very low28.6Very low117 Ų117153.4 Ų153.463%0.62678%0.782SS**  trans-77.7106.6176.3-52.3-91.1000110.7Y287Y287-D289 VanDerWaalsContact CD1-OD1 3.31Å; Y287-D289 WeakPolarHBondContact CD1-OD1 3.22Å; Y287-D289 WeakPolarHBondContact CE1-OD1 3.41Å
290D31.1Very low28.8Very low107 Ų107151 Ų15157%0.57278%0.778SS**  trans-99.7100.3152-85.6-35.6000105.6R148 V288 E292R148-D290 IonicContact CZ-OD1 3.96Å; R148-D290 IonicContact CZ-OD2 3.86Å; R148-D290 VanDerWaalsContact NH2-CG 3.28Å; R148-D290 IonicContact NH2-OD1 3.16Å; R148-D290 PolarHBondContact NH2-OD1 3.4Å; R148-D290 VanDerWaalsContact NH2-OD1 3.16Å; R148-D290 IonicContact NH2-OD2 2.73Å; R148-D290 PolarHBondContact NH2-OD2 2.96Å; V288-D290 PolarHBondContact O-N 2.86Å; D290-E292 PolarHBondContact O-N 2.9Å
291M28.6Very low28.9Very low184 Ų184150.6 Ų150.691%0.90678%0.777SS**  trans-86.799.4176.6-92.6-165.4171.800110.9
292E27.6Very low29.3Very low186 Ų186150.4 Ų150.487%0.86979%0.785SS**  trans-159.290.2162.3-159.4167.3-143.500112.1D290D290-E292 PolarHBondContact O-N 2.9Å
293T29.9Very low29.4Very low144 Ų144151.4 Ų151.488%0.88379%0.786SS**  trans-144.8125.1167.517.50000111.7
294K25Very low29.7Very low211 Ų211155.4 Ų155.492%0.91780%0.795SS**  trans-78.4142.3163.9-61.2171.4179.4175.80109.2
295S31Very low29.9Very low117 Ų117156.6 Ų156.682%0.81880%0.796SS**  trans-154.3120.315455.70000110
296N26.8Very low30.1Very low146 Ų146158.3 Ų158.378%0.78180%0.798SS**  trans-77.6-173.6171.3-67-11.4000110.5
297Y28.6Very low30Very low200 Ų200161.1 Ų161.178%0.78481%0.808SS**  trans77.996.9-179-59.1-82.1000115.7
298Y29.8Very low30Very low243 Ų243156.6 Ų156.695%0.95380%0.803SS**  -134.6145.698.1-105.8-83.5000109.4
299Q28.3Very low29.9Very low155 Ų155157.7 Ų157.772%0.72481%0.805SS**  trans-131.2119.8-178.5-178.9176.6-4.100107.9
300S30.9Very low29.9Very low116 Ų116162.5 Ų162.581%0.81182%0.815SS**  trans-136.5116.4175.352.60000107.8
301N29.8Very low29.7Very low122 Ų122163.5 Ų163.565%0.65283%0.826SS**  trans-72.6141.3-179.2-57.2-29.9000110.3
302D33.3Very low29.7Very low174 Ų174163.2 Ų163.293%0.9382%0.819SS**  trans-135.3116.2144.9-98.7-46.4000108.1
303N30.5Very low29.6Very low150 Ų150159.7 Ų159.780%0.80281%0.813SS**  trans-100.1114.3-177.6-88.2-30.4000109.8
304M31.9Very low29.7Very low192 Ų192159.7 Ų159.795%0.94681%0.806SS**  trans-138.2108.4154.1-86.2-123.1168.800111.2
305N30.4Very low29.7Very low158 Ų158156.8 Ų156.885%0.84580%0.8SS**  trans-65.2136.4165.2-83.7-41.1000110.5
306K33.5Very low29.3Very low195 Ų195158.2 Ų158.285%0.84880%0.797SS**  -175.8146.1113.8-100.7164.1-177.4179.80114.4
307N30.2Very low29.3Very low150 Ų150160 Ų16080%0.80280%0.801SS**  trans60124.2165-82.113.9000120.9
308P28.9Very low29.1Very low104 Ų104160 Ų16068%0.67580%0.801SS**  trans-81.8-166.6152.238.6-34.5000110.8
309N29.8Very low28.9Very low140 Ų140154.6 Ų154.675%0.74980%0.796SS**  trans76.395.3175.5-54.5-14.6000116.1
310Y31.1Very low28.8Very low218 Ų218153.3 Ų153.386%0.85579%0.79SS**  trans-151.378.4139.5-105.4-63.4000111.9
311T28.6Very low28.6Very low128 Ų128157.1 Ų157.179%0.78579%0.792SS**  trans-70136.2156.244.30000109.6
312K28.6Very low28.4Very low178 Ų178158.2 Ų158.277%0.77479%0.793SS**  trans-124.798.4169.7-96.5-169.3172.5-175.40111.8
313P25.5Very low28.2Very low112 Ų112158.2 Ų158.273%0.72779%0.788SS**  trans-105.2104.5165.833.9-22.8000110.3
314I31Very low27.9Very low145 Ų145155 Ų15574%0.74478%0.777SS**  trans-150.1137178.2-52.7178.1000108.2
315L25.6Very low27.7Very low150 Ų150153.5 Ų153.579%0.78577%0.771SS**  cis-164.5147.9-29.7-176.165.4000105.5
316L22.9Very low27.5Very low146 Ų146152.2 Ų152.276%0.76476%0.764SS**  trans-69.2142.1169.5-81.789.1000110.7
317H27.1Very low27.2Very low185 Ų185147.5 Ų147.586%0.85675%0.752SS**  trans-129.897.2159.9-138.747000111.1
318Y23.9Very low27.1Very low200 Ų200146 Ų14678%0.78474%0.744SS**  trans-75.5137.3165.3-124.8-100.4000108.3
319C25.9Very low27Very low128 Ų128150.5 Ų150.587%0.86575%0.749SS**  trans-147.4145.5158.9-161.30000109.7
320H24.9Very low27Very low128 Ų128150.1 Ų150.159%0.59375%0.752SS**  trans-147.5122.1-156163.3-76.1000111.8
321K27.2Very low26.9Very low197 Ų197144.4 Ų144.486%0.85774%0.735SS**  trans-161.1115.7160.9-102.2172.4179.1-177.70106.7
322Q25.8Very low26.9Very low144 Ų144145 Ų14567%0.67373%0.733SS**  6896.361.4-73.1-175-52.100115.1
323H28.3Very low27.1Very low175 Ų175143.1 Ų143.181%0.8174%0.737SS**  trans163.4113130.5-89.5-68.6000106.4
324S24.6Very low27.4Very low83 Ų83147.7 Ų147.758%0.5874%0.741SS**  cis86137.144.978.40000113.9
325I27.9Very low27.4Very low160 Ų160147.2 Ų147.282%0.82173%0.734SS**  trans79.4137.8169.5-51.8162.3000114.2
326N26.9Very low27.7Very low130 Ų130148.3 Ų148.370%0.69574%0.735SS**  cis-166.1166.9-34.9-14624.8000110
327T26.7Very low28.2Very low96 Ų96149.4 Ų149.459%0.58974%0.74SS**  trans13.7150.2146.257.20000121.6
328D27.4Very low28.4Very low120 Ų120146.3 Ų146.364%0.64273%0.726SS**  cis-169.7120-5.6-106.4-25.2000110.3
329Y26.7Very low28.7Very low197 Ų197147.9 Ų147.977%0.77373%0.73SS**SBendtrans-153.8131.8157.7-83.1-89.2000105.6
330T31Very low28.9Very low132 Ų132151.7 Ų151.781%0.8173%0.732SS**  cis-13666.726.6-48.80000112N332T330-N332 PolarHBondContact O-N 3.46Å; T330-N332 VanDerWaalsContact O-N 3.11Å
331L27.9Very low29.1Very low99 Ų99151.7 Ų151.752%0.51874%0.737SS.*  trans-79.685.7177.9-17773000112
332N29Very low29.1Very low139 Ų139146.8 Ų146.874%0.74373%0.727SS**SBendtrans-148.71.4165.9-129.7-2.9000118.4T330T330-N332 PolarHBondContact O-N 3.46Å; T330-N332 VanDerWaalsContact O-N 3.11Å
333V33Very low29.3Very low140 Ų140147.3 Ų147.385%0.84873%0.727SS**SBendtrans-97.4-25.1168.8-1780000111.7K335V333-K335 PolarHBondContact O-N 3.25Å; V333-K335 VanDerWaalsContact O-N 3.15Å
334Y31.6Very low29.4Very low208 Ų208146.4 Ų146.482%0.81673%0.729SS**THydrogen-bonded Turntrans-77.96-175.4-126.7-91.6000115.3
335K30.7Very low29.8Very low135 Ų135148.6 Ų148.659%0.58773%0.734SS**THydrogen-bonded Turntrans-115.615.5-170-105.7-179.9178.5175.90116V333V333-K335 PolarHBondContact O-N 3.25Å; V333-K335 VanDerWaalsContact O-N 3.15Å
336Q32.4Very low30Very low172 Ų172144.3 Ų144.380%0.80471%0.712SS**SBendtrans-111.5-20.3168.8-70.8-162.7100115Q338Q336-Q338 PolarHBondContact O-N 2.95Å
337I32.7Very low30.2Very low169 Ų169145.7 Ų145.787%0.86772%0.72SS**THydrogen-bonded Turntrans-8658.5174.3-45.9-177.6000109.9
338Q32.3Very low30.5Very low121 Ų121151.8 Ų151.857%0.56573%0.734SS**THydrogen-bonded Turntrans-142.113.3-178.9-132.5176.614.800113.6Q336Q336-Q338 PolarHBondContact O-N 2.95Å
339R30.2Very low30.7Very low233 Ų233151.4 Ų151.488%0.87973%0.73SS**THydrogen-bonded Turntrans-99.912.8-176.7-86.3-171.3170.7-172.8-2.6116.1
340F30.5Very low31.1Very low207 Ų207147.7 Ų147.791%0.90872%0.722SS**THydrogen-bonded Turntrans-131.633.3167.6-88.9-75.8000112.7S342F340-S342 PolarHBondContact O-N 3.3Å
341N27.5Very low31.1Very low129 Ų129149.2 Ų149.269%0.6973%0.726SS**  trans-84.784.3172.7-77.812.5000111
342S27.2Very low31.5Very low93 Ų93150.8 Ų150.865%0.6573%0.728SS**  trans-145.386.8157.4-1670000110.4F340F340-S342 PolarHBondContact O-N 3.3Å
343F30.9Very low31.9Very low155 Ų155148.4 Ų148.468%0.6872%0.716SS**  trans-141.928.2172.5-106.5-83000111.9D345 L346F343-D345 PolarHBondContact O-N 3.5Å; F343-L346 HydrophobicContact CD1-CB 3.93Å; F343-L346 HydrophobicContact CD1-CD2 4.05Å; F343-L346 HydrophobicContact CD1-CG 4.41Å; F343-L346 HydrophobicContact CE1-CB 4.34Å; F343-L346 HydrophobicContact CE1-CD1 4.18Å; F343-L346 HydrophobicContact CE1-CD2 3.87Å; F343-L346 HydrophobicContact CE1-CG 4.36Å
344N30.9Very low32.4Very low156 Ų156146.5 Ų146.583%0.83471%0.707SS**THydrogen-bonded Turntrans-71.6-15.3178.7-80.10.8000113.5
345D32.3Very low32.6Very low129 Ų129144.7 Ų144.769%0.6970%0.703SS**THydrogen-bonded Turntrans-92.1-5.8-175.8-59.4-59.1000114.8F343F343-D345 PolarHBondContact O-N 3.5Å
346L31.6Very low32.9Very low71 Ų71144.6 Ų144.637%0.37270%0.703SS.*G310 helixtrans-87.1-19.9-173.7-148.978.5000114.4F343 Y348 I349 I350F343-L346 HydrophobicContact CD1-CB 3.93Å; F343-L346 HydrophobicContact CD1-CD2 4.05Å; F343-L346 HydrophobicContact CD1-CG 4.41Å; F343-L346 HydrophobicContact CE1-CB 4.34Å; F343-L346 HydrophobicContact CE1-CD1 4.18Å; F343-L346 HydrophobicContact CE1-CD2 3.87Å; F343-L346 HydrophobicContact CE1-CG 4.36Å; L346-Y348 PolarHBondContact O-N 2.92Å; L346-I349 PolarHBondContact O-N 3.44Å; L346-I350 HydrophobicContact CD2-CD1 3.84Å; L346-I350 HydrophobicContact CG-CD1 4.25Å; L346-I350 HydrophobicContact CG-CG1 4.44Å
347N32Very low33.3Very low159 Ų159142.6 Ų142.685%0.8569%0.693SS**G310 helixtrans-70.56.3178.4-78.1-12.4000114.1
348Y32.2Very low33.6Very low224 Ų224138.7 Ų138.788%0.87868%0.677SS**G310 helixtrans-114.7-0.2174-122.1-92.6000114.4L346L346-Y348 PolarHBondContact O-N 2.92Å
349I32.2Very low33.7Very low111 Ų111138.1 Ų138.157%0.56968%0.678SS**THydrogen-bonded Turntrans-118.1-22.7-165.8-63.6-179.1000114L346 N351L346-I349 PolarHBondContact O-N 3.44Å; I349-N351 VanDerWaalsContact C-N 3.3Å; I349-N351 PolarHBondContact O-N 3.05Å; I349-N351 VanDerWaalsContact O-N 3.1Å
350I34.2Very low33.9Very low119 Ų119133.5 Ų133.561%0.6167%0.67SS**  trans-91.551.9-175.5-41.5-172.9000112.9L346 F352L346-I350 HydrophobicContact CD2-CD1 3.84Å; L346-I350 HydrophobicContact CG-CD1 4.25Å; L346-I350 HydrophobicContact CG-CG1 4.44Å; I350-F352 HydrophobicContact CG2-CB 4.17Å; I350-F352 PolarHBondContact O-N 3.43Å; I350-F352 VanDerWaalsContact O-N 3.1Å
351N32.5Very low34.2Very low165 Ų165126.6 Ų126.688%0.88265%0.647SS**  trans-78.970.5155.9-96.6-43.4000108.8I349I349-N351 VanDerWaalsContact C-N 3.3Å; I349-N351 PolarHBondContact O-N 3.05Å; I349-N351 VanDerWaalsContact O-N 3.1Å
352F36.6Very low34.7Very low131 Ų131128.1 Ų128.158%0.57565%0.648SS**  trans-120115.2-177.2-104.8-77.4000113.6I350I350-F352 HydrophobicContact CG2-CB 4.17Å; I350-F352 PolarHBondContact O-N 3.43Å; I350-F352 VanDerWaalsContact O-N 3.1Å
353D35.9Very low35.1Very low89 Ų89132.7 Ų132.748%0.47665%0.652SS.*  trans-7.2119170.4-175.22.3000117.2F355 K356D353-F355 PolarHBondContact O-N 2.92Å; D353-F355 WeakPolarHBondContact OD1-CB 3.44Å; D353-F355 PolarHBondContact OD1-N 3.36Å; D353-K356 PolarHBondContact O-N 2.88Å; D353-K356 VanDerWaalsContact O-N 3.12Å
354P44.1Very low35.4Very low101 Ų101136 Ų13666%0.65666%0.66SS**Hα-helixtrans-57-23.2177.524.4-34.8000114.2K356 Q357 T358P354-K356 PolarHBondContact O-N 3Å; P354-Q357 PolarHBondContact O-N 3.48Å; P354-T358 PolarHBondContact O-OG1 3.46Å
355F36.4Very low35.8Very low170 Ų170135.7 Ų135.775%0.74665%0.648SS**Hα-helixtrans-62.9-25.6177.9-113.5-94.2000113.9D353D353-F355 PolarHBondContact O-N 2.92Å; D353-F355 WeakPolarHBondContact OD1-CB 3.44Å; D353-F355 PolarHBondContact OD1-N 3.36Å
356K36.9Very low36Very low133 Ų133134.6 Ų134.658%0.57865%0.65SS**Hα-helixtrans-78.9-31.3-179.9-87.3-176174.6177.70113.7D353 P354 T358 L359D353-K356 PolarHBondContact O-N 2.88Å; D353-K356 VanDerWaalsContact O-N 3.12Å; P354-K356 PolarHBondContact O-N 3Å; K356-T358 VanDerWaalsContact C-N 3.29Å; K356-T358 PolarHBondContact O-N 2.99Å; K356-L359 PolarHBondContact O-N 3.5Å
357Q39.4Very low36Very low129 Ų129135.5 Ų135.560%0.60367%0.668SS**Hα-helixtrans-64.7-36.2178.8-62.1-166.520.300111.7P354 L359 L360 S361P354-Q357 PolarHBondContact O-N 3.48Å; Q357-L359 PolarHBondContact O-N 2.97Å; Q357-L360 PolarHBondContact O-N 2.96Å; Q357-S361 PolarHBondContact O-N 2.64Å; Q357-S361 PolarHBondContact O-OG 3.23Å
358T39.4Very low35.9Very low87 Ų87133.1 Ų133.153%0.53466%0.661SS.*Hα-helixtrans-64.2-17.7178.1-350000114P354 K356 S361P354-T358 PolarHBondContact O-OG1 3.46Å; K356-T358 VanDerWaalsContact C-N 3.29Å; K356-T358 PolarHBondContact O-N 2.99Å; T358-S361 PolarHBondContact O-OG 3.34Å
359L34.1Very low35.7Very low109 Ų109128 Ų12857%0.57166%0.658SS**Hα-helixtrans-89.6-40178.7-112160.4000112.1K356 Q357 K362K356-L359 PolarHBondContact O-N 3.5Å; Q357-L359 PolarHBondContact O-N 2.97Å; L359-K362 WeakPolarHBondContact O-CB 3.06Å; L359-K362 PolarHBondContact O-N 2.94Å
360L34.4Very low35.6Very low137 Ų137130.6 Ų130.672%0.71767%0.672SS**Hα-helixtrans-73.1-36.3178.6-81.5163.7000112.9Q357 K362 Y363Q357-L360 PolarHBondContact O-N 2.96Å; L360-K362 VanDerWaalsContact C-N 3.27Å; L360-K362 PolarHBondContact O-N 3.44Å; L360-Y363 PolarHBondContact O-N 2.94Å
361S36.6Very low35.3Very low61 Ų61132.8 Ų132.843%0.42768%0.684SS.*Hα-helixtrans-61.4-38.3172.459.20000111.8Q357 T358 Y363 R364Q357-S361 PolarHBondContact O-N 2.64Å; Q357-S361 PolarHBondContact O-OG 3.23Å; T358-S361 PolarHBondContact O-OG 3.34Å; S361-Y363 PolarHBondContact O-N 3.38Å; S361-R364 PolarHBondContact O-N 3.05Å; S361-R364 VanDerWaalsContact O-N 3.13Å
362K38.2Very low35.2Very low162 Ų162132 Ų13270%0.70468%0.678SS**Hα-helixtrans-60-28.3-178.5-129.4171.9-174.9174.10114.5L359 L360L359-K362 WeakPolarHBondContact O-CB 3.06Å; L359-K362 PolarHBondContact O-N 2.94Å; L360-K362 VanDerWaalsContact C-N 3.27Å; L360-K362 PolarHBondContact O-N 3.44Å
363Y35.8Very low34.8Very low189 Ų189133.6 Ų133.674%0.74169%0.687SS**THydrogen-bonded Turntrans-85.5-8.9179.5-90-86.2000114.6L360 S361L360-Y363 PolarHBondContact O-N 2.94Å; S361-Y363 PolarHBondContact O-N 3.38Å
364R37.6Very low34.4Very low224 Ų224137.4 Ų137.485%0.84571%0.706SS**THydrogen-bonded Turntrans-90.2-17.6176.2-92.8-175.9173.6171.9-0.9114.8S361 S366S361-R364 PolarHBondContact O-N 3.05Å; S361-R364 VanDerWaalsContact O-N 3.13Å; R364-S366 VanDerWaalsContact C-N 3.32Å; R364-S366 PolarHBondContact O-N 3.09Å
365Y40.4Very low33.8Very low150 Ų150140 Ų14059%0.58872%0.715SS**THydrogen-bonded Turntrans-83.87.8-170.9-92.2-91000115.6S94S94-Y365 PolarHBondContact OG-OH 3.33Å
366S34.8Very low33.4Very low105 Ų105139.3 Ų139.373%0.73472%0.719SS**THydrogen-bonded Turntrans-91.75.9-171.456.10000116.1R364R364-S366 VanDerWaalsContact C-N 3.32Å; R364-S366 PolarHBondContact O-N 3.09Å
367A31.9Very low33Very low91 Ų91138 Ų13875%0.75273%0.726SS**  trans-13886.2-176.100000113.4
368P29.3Very low32.8Very low108 Ų108137.9 Ų137.970%0.70174%0.74SS**  trans-94.8145.5174.434.8-31.5000113.3
369S29.2Very low32.4Very low116 Ų116139.2 Ų139.281%0.81175%0.748SS**  trans90.7154.2173.6-38.10000116.8
370I30.3Very low31.9Very low166 Ų166142.9 Ų142.985%0.85176%0.76SS**  trans74.782.3179.9-44.4174.5000115.1
371L27.5Very low31.7Very low165 Ų165145.6 Ų145.686%0.86477%0.766SS**  trans-15085.5142.5-153.781.4000110.7
372I29.7Very low31.3Very low149 Ų149147.1 Ų147.176%0.76477%0.773SS**  trans-129.4144.2171.7-65.6179.2000107.3
373H28.1Very low30.7Very low165 Ų165146.9 Ų146.976%0.76477%0.774SS**  trans62.676.4178.3-74.3-62000117.6
374L29.2Very low30.2Very low168 Ų168144 Ų14488%0.8877%0.77SS**  trans-138.163.5151.6-78.2-178.4000111.4
375N30.5Very low29.9Very low157 Ų157139.2 Ų139.284%0.8477%0.766SS**SBendtrans-158.249.7165.8-159.817.7000112.7
376N28.3Very low29.4Very low154 Ų154138.8 Ų138.882%0.82477%0.774SS**SBendtrans-158.445.9178.5-128-1.9000114.6
377S28.4Very low29.1Very low105 Ų105137.8 Ų137.873%0.73477%0.767SS**  trans-163.266.4173.855.50000113.3
378S34.6Very low29Very low127 Ų127141 Ų14189%0.88877%0.772SS**  trans-107.488.4158.158.10000108.4
379T30.4Very low29.2Very low116 Ų116140.9 Ų140.971%0.71277%0.773SS**  trans-83.5132.3-167.4450000114
380F25.1Very low29.2Very low185 Ų185144 Ų14481%0.81178%0.775SS**  61.475.6122.7-150.9-83.1000118.1
381F29.7Very low29.1Very low195 Ų195140.3 Ų140.386%0.85576%0.764SS**  trans-141.1113.7148.2-87.9-97.1000105.4
382T28.1Very low29Very low92 Ų92139.2 Ų139.256%0.56476%0.758SS**  56.113276.766.60000113.4
383E25.8Very low29Very low157 Ų157140.3 Ų140.373%0.73476%0.76SS**  cis-164.4178.4-8.2-128.7-176.9127.300109.3
384I25.7Very low28.9Very low128 Ų128137.1 Ų137.166%0.65676%0.756SS**  trans31.1108.2152.6-55159.3000117.5
385T31.4Very low28.7Very low124 Ų124133.9 Ų133.976%0.76175%0.747SS**  -162.6132.4117.16.80000112.5
386N30.4Very low28.4Very low141 Ų141133.2 Ų133.275%0.75474%0.742SS**  trans25.5137.9146.6-61.7-9.1000120.8
387S28Very low28.3Very low84 Ų84133.6 Ų133.659%0.58774%0.739SS**  cis152.1161.7-14.548.30000106.2
388N30.2Very low28.3Very low160 Ų160135.9 Ų135.986%0.85674%0.738SS**  trans68.1141.2-178.9-46.2-27.7000113.4
389S31.8Very low28Very low104 Ų104134.9 Ų134.973%0.72773%0.726SS**  cis-137.3141.9-1.9510000108.3
390Q30.2Very low28Very low182 Ų182136.5 Ų136.585%0.8573%0.73SS**  38.1132.395.6-68.6-179.8-14.600115
391S27.5Very low28.3Very low89 Ų89132.2 Ų132.262%0.62272%0.723SS**  cis-176.7151-3.247.50000113.1
392I26.4Very low28.5Very low142 Ų142129.7 Ų129.773%0.72872%0.718SS**  trans71.6157.1145.6-70.8164.1000117.8
393E28.9Very low28.7Very low172 Ų172131.7 Ų131.780%0.80472%0.723SS**  trans50.2100.7169-77.6149.1-159.700117.8
394S25.8Very low29.1Very low97 Ų97135.2 Ų135.268%0.67873%0.73SS**  84.2128.261.7760000115
395S24.5Very low29.4Very low101 Ų101133.6 Ų133.671%0.70673%0.73SS**  trans69.1113.6156.4-59.50000119.2
396I26.1Very low29.4Very low142 Ų142131.7 Ų131.773%0.72872%0.722SS**  trans83.6130.7134.4-63171.1000117.7
397E25.7Very low29.6Very low163 Ų163129.5 Ų129.576%0.76272%0.718SS**  trans77.2124.2158.2-76.4166.8-14600123.9
398H27.9Very low29.9Very low153 Ų153131 Ų13171%0.70873%0.728SS**  trans64.7112.8137.6-72.1-60.6000124.9
399T28.3Very low30.2Very low105 Ų105128.2 Ų128.264%0.64472%0.721SS**  trans76.4122.6130.354.80000123.1
400N29.6Very low30.5Very low150 Ų150128.6 Ų128.680%0.80272%0.724SS**  55.3142.4128.2-54.6-11.7000120.1
401S33Very low30.8Very low95 Ų95125 Ų12566%0.66472%0.719SS**  cis177.5-172.7-0.248.60000110
402I33.5Very low31.2Very low143 Ų143126.5 Ų126.573%0.73372%0.724SS**  trans82.8148.1162.7-58.4160.3000117.1
403I33Very low31.7Very low133 Ų133124.7 Ų124.768%0.68272%0.724SS**  -170.8169.4-61.1-84.2151.7000107.9
404W33.2Very low32.1Very low232 Ų232121.3 Ų121.388%0.87972%0.719SS**  trans83.9162.4173.7-50.4100.3000116.5
405S31.4Very low32.7Very low93 Ų93121.5 Ų121.565%0.6572%0.721SS**  cis-178.2167.2-36.2740000108.8
406S32.8Very low33.4Very low84 Ų84121.9 Ų121.959%0.58772%0.723SS**  cis-172.3-178.6-23.858.40000111.1
407S33.9Very low34.1Very low96 Ų96120.1 Ų120.167%0.67172%0.722SS**  trans90.7129.3150.8-55.50000123.9
408S34.8Very low34.8Very low116 Ų116120.1 Ų120.181%0.81173%0.726SS**  trans66.8160.2152.141.60000122.1
409S36.8Very low35.5Very low100 Ų100118.2 Ų118.270%0.69973%0.727SS**  cis-175.4150.2-38.155.10000113.8
410S36.5Very low36.1Very low113 Ų113118.9 Ų118.979%0.7974%0.736SS**  trans59142.3161.650.40000120.2
411S36.4Very low36.3Very low106 Ų106118.3 Ų118.374%0.74174%0.738SS**  cis-166-166-10.151.60000108.2
412T36.8Very low36.7Very low120 Ų120119 Ų11974%0.73674%0.741SS**  cis-149.2-87.616.4-38.90000114.8
413S36.6Very low36.8Very low104 Ų104117 Ų11773%0.72774%0.739SS**  trans-167.9-172.2-170.1610000110.6
414S38.3Very low37Very low101 Ų101116 Ų11671%0.70674%0.744SS**  cis-173167.69.310.30000108.9
415S38.5Very low36.9Very low102 Ų102109.3 Ų109.371%0.71373%0.733SS**  cis177.1156.1-21.3560000112.4
416S39.3Very low37.1Very low108 Ų108113.8 Ų113.876%0.75574%0.741SS**  trans89.7169.8151.7-45.70000119.7
417P40.7Very low37Very low106 Ų106114.1 Ų114.169%0.68874%0.743SS**  -148.9167.1-88.144-23.6000121.2
418L38.7Very low37Very low163 Ų163117.4 Ų117.485%0.85375%0.747SS**  trans71.1-177.8144.5-69.1164.5000119.5
419P43.1Very low36.8Very low112 Ų112120 Ų12073%0.72775%0.745SS**  -143.8174.8-92.643.4-22.9000118.6
420S40.3Very low36.4Very low120 Ų120119.3 Ų119.384%0.83974%0.74SS**  trans-165.1161.3154.956.80000115.1
421T34.1Very low36.1Very low137 Ų137119.1 Ų119.184%0.8474%0.739SS**  trans-146.6-173.3-177.557.70000109.8
422P42.5Very low35.8Very low111 Ų111125.8 Ų125.872%0.72175%0.749SS**  cis-129.5-171.5-41.233.2-14.3000113.1
423S36Very low35.5Very low101 Ų101129.9 Ų129.971%0.70675%0.751SS**  137.6144.4125.9700000119
424S36.4Very low35.2Very low112 Ų112131.3 Ų131.378%0.78375%0.746SS**  trans67.1160.1160.681.30000118
425S31.7Very low34.9Very low91 Ų91133.5 Ų133.564%0.63675%0.745SS**  cis-165.7-176.4-21.4500000110
426F34.7Very low34.7Very low187 Ų187135.8 Ų135.882%0.8275%0.75SS**  trans65.3138-178.1-68.4-108.7000115.3
427S32.1Very low34.5Very low90 Ų90137.4 Ų137.463%0.62975%0.745SS**  cis87110.217.384.10000117.3
428E32.2Very low34.3Very low165 Ų165138.9 Ų138.977%0.77174%0.742SS**  175166.7118.4-97.3-158.9127.700116.3
429F31.3Very low34.2Very low171 Ų171137.7 Ų137.775%0.7573%0.732SS**  trans54.588.1153.1-89.5-107.3000123.7
430S28.6Very low33.9Very low86 Ų86140.1 Ų140.160%0.60173%0.733SS**  24.2142.6119.6690000124
431S29.1Very low33.8Very low109 Ų109141.1 Ų141.176%0.76273%0.725SS**  trans75.8108.1143.1-61.20000120.4
432Y31Very low33.9Very low246 Ų246142 Ų14297%0.96572%0.719SS**  trans-143.8170.6134.3-128.7-93.6000111.5
433R30.2Very low33.4Very low205 Ų205145.4 Ų145.477%0.77472%0.717SS**  trans-140.7139.1-151.8-163.2-167.7-166.1-166.24.7114
434Q31.5Very low33.7Very low134 Ų134149.5 Ų149.563%0.62673%0.725SS**  trans71.6144.7153.8-90.7168.7-61.100121.9
435Q30.6Very low33.6Very low148 Ų148150.9 Ų150.969%0.69272%0.719SS**  trans67.4111.8147.5-71168.6-65.600121.1
436N35.4Very low34.1Very low150 Ų150155.4 Ų155.480%0.80273%0.73SS**  164.3164.5121.6-82-22.2000110.4
437H35.1Very low34.1Very low142 Ų142152 Ų15266%0.65772%0.72SS**  -165.3151.5-53.7-130-81.7000107.6
438H35Very low34.7Very low136 Ų136156.6 Ų156.663%0.6373%0.731SS**  trans71.5136.3157.1-82.3-68.4000125.3
439H37.3Very low34.7Very low139 Ų139155.2 Ų155.264%0.64473%0.729SS**  trans64.5157.8146-66.7-51.7000120.4
440H37.2Very low35Very low162 Ų162155.4 Ų155.475%0.7574%0.737SS**  cis-125.1155.9-9.6-96.1-79.1000107.8
441H37.3Very low35.2Very low142 Ų142159.4 Ų159.466%0.65775%0.746SS**  cis105.5148.734.8-150.3-91.9000112.7
442H37.2Very low35.4Very low155 Ų155162.2 Ų162.272%0.71875%0.747SS**  trans95134.2-175.4-70-105.1000117.3
443R32.1Very low35.3Very low183 Ų183161 Ų16169%0.69174%0.74SS**  cis146.1112-27174.1-168.8-156.2-173.69.3108
444H41.9Very low35.6Very low187 Ų187159.3 Ų159.387%0.86675%0.745SS**  trans-148.9130.6145.4-108.1-79.2000109.9
445Q33.7Very low35.5Very low141 Ų141160.5 Ų160.566%0.65975%0.75SS**  trans-116.1155.7170-68170.2-79.500107.6
446H41.7Very low35.4Very low186 Ų186160.3 Ų160.386%0.86175%0.749SS**  trans-139.4131.7146.9-121-87.9000110
447N36.4Very low35.4Very low114 Ų114161.4 Ų161.461%0.6175%0.749SS**  trans-82.1156.3176.5-79-43.2000110.6
448H43.1Very low35.2Very low187 Ų187158 Ų15887%0.86674%0.741SS**  -155.8122.5117-110-73.5000111.5
449N33.5Very low34.9Very low137 Ų137160.2 Ų160.273%0.73375%0.751SS**  trans-91.1149.6166.9-73.4-50.4000109.6
450L36.9Very low34.9Very low174 Ų174162.9 Ų162.991%0.91176%0.761SS**  trans-155.8133.3138.6-141.274.5000113.2
451H32.3Very low34.6Very low170 Ų170165.6 Ų165.679%0.78776%0.764SS**  trans-71.5145.1159.6-94.3-167.5000110.1
452H34.9Very low34.2Very low169 Ų169165.8 Ų165.878%0.78277%0.77SS**  -171.1168.3109.5-127.6-108.4000115.6
453R28.6Very low34.2Very low221 Ų221166.3 Ų166.383%0.83477%0.772SS**  trans-81.9158.9167.6-53167.3177.4165.6-2.7110.6
454I35.7Very low34.4Very low169 Ų169165.9 Ų165.987%0.86778%0.775SS**  179.6164.7129.9-94.4155.6000113
455H29.6Very low33.9Very low158 Ų158161.6 Ų161.673%0.73177%0.766SS**  trans-90.2170.6-173.3-109.8-123.8000115.1
456H29.4Very low33.8Very low144 Ų144161.2 Ų161.267%0.66777%0.769SS**  trans54.7116.5153-75.6-67.6000122.2
457H35Very low33.6Very low174 Ų174162.4 Ų162.481%0.80677%0.772SS**  -169.5133.8108.2-116.5-110.8000108.8
458S29.7Very low33.3Very low71 Ų71163.1 Ų163.150%0.49778%0.775SS.*  cis86.996.438.5-55.30000115.2
459H30.5Very low32.8Very low181 Ų181162.3 Ų162.384%0.83877%0.771SS**  trans60.1121.8152.4-79.2-88.9000123.2
460K36.6Very low32.8Very low195 Ų195164.7 Ų164.785%0.84878%0.775SS**  -151.3120.1127.7-97.4156.8-173.9177.10106.6
461R30.5Very low32.3Very low219 Ų219168.1 Ų168.183%0.82678%0.776SS**  65.114072.5-71.3-167.2-175-167.83.9113.1
462L29.6Very low32.3Very low147 Ų147167.5 Ų167.577%0.7778%0.778SS**  cis178.7122.6-25-130.2173.4000107.5
463H36.9Very low32.2Very low165 Ų165162.6 Ų162.676%0.76477%0.774SS**  trans165.4153162.8-90.6-29000109.2
464K36.3Very low32.3Very low174 Ų174159 Ų15976%0.75777%0.77SS**  cis-156.1119.3-14.6-126.7162.1178172.20102.8
465S30.8Very low32Very low97 Ų97160 Ų16068%0.67877%0.769SS**  116.1141.665.8-1790000109.8
466N31.3Very low32.2Very low133 Ų133161.8 Ų161.871%0.71178%0.777SS**  trans55.7105.6163.9-69.3-15.9000121.1
467K37.8Very low32.1Very low212 Ų212160.3 Ų160.392%0.92278%0.783SS**  -159.4132.790.2-102.5170.9-177.7176.10112.2
468N30Very low31.8Very low129 Ų129156.7 Ų156.769%0.6978%0.778SS**  trans-93.4145.5-177.6-63.7-34.8000111.4
469H32.9Very low31.9Very low169 Ų169162.1 Ų162.178%0.78279%0.792SS**  177.9160.694.1-106.8-67.8000115.7
470K32.6Very low31.8Very low187 Ų187158.9 Ų158.981%0.81379%0.785SS**  trans63.482.7158.1-73.5-176.9176.6-179.60117.9
471R27.2Very low31.3Very low247 Ų247157.2 Ų157.293%0.93278%0.78SS**  trans-140104133.4-135.7177.4-173.4176.11.8109.5
472N33.1Very low31.1Very low156 Ų156153.4 Ų153.483%0.83478%0.776SS**  trans-110.4158.9176.3-73.614.5000109.8
473G31.6Very low31.2Very low67 Ų67155 Ų15569%0.69178%0.779SS**  trans84.677.7177.600000112.9
474L30.3Very low30.6Very low144 Ų144156.9 Ų156.975%0.75478%0.781SS**  cis80.4114.146.7-67.8164.9000115.6
475K29.2Very low30.2Very low192 Ų192155.6 Ų155.684%0.83578%0.782SS**  trans69.1154151.5-58.8171.4178.81780115.2
476Q34.3Very low30.1Very low195 Ų195157.5 Ų157.591%0.91178%0.784SS**  cis-120-174.912.1-71.6172.5-27.900113.5
477S27.4Very low30.1Very low112 Ų112160.9 Ų160.978%0.78379%0.787SS**  trans-146.9172.7-174.9-175.90000110.9
478S28.9Very low29.7Very low99 Ų99159.3 Ų159.369%0.69279%0.788SS**  trans70.4154-175.688.50000113.9
479K32.1Very low29.7Very low185 Ų185160.2 Ų160.280%0.80479%0.786SS**  cis-126.5142.34-84.1161.8-175.1170.70108.4
480V28.4Very low29.4Very low113 Ų113158.6 Ų158.669%0.68579%0.792SS**  75.4114.364.4175.30000113.9
481Q26.6Very low29.4Very low160 Ų160157.6 Ų157.675%0.74879%0.788SS**  trans70.3143.6158.7-78.2167.4-60.700122.7
482N25.7Very low29.6Very low138 Ų138155.4 Ų155.474%0.73878%0.781SS**  trans53.1108150-59.3-3.3000120.6
483H31.7Very low29.8Very low182 Ų182153.8 Ų153.884%0.84378%0.779SS**  -150.4142.8107.5-130.5-84.5000113.9
484Y24.8Very low29.6Very low203 Ų203155.7 Ų155.780%0.79678%0.78SS**  trans-82.5158.5171.2-103.5-131.8000111.6
485L27.7Very low29.6Very low148 Ų148154.6 Ų154.678%0.77578%0.784SS**  trans35.2107.4162.5-89.377.2000119.1
486N29.1Very low29.6Very low137 Ų137150.4 Ų150.473%0.73378%0.778SS**  trans-169127.8148-98.4-66.9000108
487R30.7Very low29.2Very low203 Ų203146.3 Ų146.377%0.76677%0.77SS**  cis-143140.9-11-71-179.2172178.3-5.9109.5
488L28.6Very low29.2Very low179 Ų179146.9 Ų146.994%0.93777%0.769SS**  trans-83.9119.2146.6-82100.7000108.1
489K31.4Very low29.2Very low148 Ų148146.7 Ų146.764%0.64377%0.767SS**  trans-149.483.5157.4-80.1-153.1173.3-1650109.9F491K489-F491 HydrophobicContact CB-CD2 4.26Å; K489-F491 HydrophobicContact CD-CD2 4.03Å; K489-F491 HydrophobicContact CD-CE2 3.86Å; K489-F491 HydrophobicContact CG-CD2 4.27Å; K489-F491 HydrophobicContact CG-CE2 4.26Å
490C26.4Very low29.1Very low135 Ų135144.4 Ų144.491%0.91277%0.769SS**  trans-83.8113.5150.7-68.40000106.3
491F31.9Very low29.1Very low167 Ų167143.6 Ų143.673%0.73277%0.768SS**  trans-112.7118.7171.5-102.8-102.7000107.9K489K489-F491 HydrophobicContact CB-CD2 4.26Å; K489-F491 HydrophobicContact CD-CD2 4.03Å; K489-F491 HydrophobicContact CD-CE2 3.86Å; K489-F491 HydrophobicContact CG-CD2 4.27Å; K489-F491 HydrophobicContact CG-CE2 4.26Å
492Y32.1Very low29.4Very low201 Ų201140.2 Ų140.279%0.78876%0.763SS**  trans-73.5156.8150.7-88.6-88.7000108.1
493P37.5Very low29.6Very low121 Ų121141 Ų14179%0.78677%0.767SS**  -131.1160.491.637.5-29.4000113.5
494C27.3Very low29.7Very low107 Ų107142 Ų14272%0.72377%0.772SS**  trans-83.2143.4162.1-59.90000109.6
495C30.2Very low30.3Very low122 Ų122140.7 Ų140.782%0.82477%0.772SS**  trans-166.9116.2140.6-114.10000112.6
496S28.5Very low30.8Very low104 Ų104138.5 Ų138.573%0.72777%0.767SS**  39.1126.5125.7-52.20000122.7
497C25.2Very low31Very low108 Ų108142.2 Ų142.273%0.7378%0.776SS**  trans83.9107.8134.3-64.20000122.3
498T28.7Very low31Very low124 Ų124136.7 Ų136.776%0.76177%0.769SS**  77.1126.6124.655.80000123.4
499S28.4Very low31.1Very low95 Ų95139.1 Ų139.166%0.66477%0.767SS**  trans73.2118.3133.562.70000122.5
500T29.5Very low31.1Very low137 Ų137137.5 Ų137.584%0.8477%0.772SS**  trans65.8150138.3500000119.3
501S29.6Very low31.6Very low96 Ų96138.2 Ų138.267%0.67177%0.772SS**  cis-164.7168.1-8.2165.20000108.7
502S32.6Very low31.5Very low89 Ų89137.4 Ų137.462%0.62278%0.775SS**  trans61.6109.6157.732.70000117.6
503N29.2Very low31.5Very low154 Ų154136.2 Ų136.282%0.82478%0.777SS**  73.5109.380.6-69.9-7000114.4
504H34.3Very low31.3Very low205 Ų205137.8 Ų137.895%0.94978%0.778SS**  -158.4156.4128.7-113-80.2000110.4
505H36.5Very low31.4Very low175 Ų175139.5 Ų139.581%0.8178%0.78SS**  trans-119.7-170.6-161.5-133.8-19.1000111.8
506P39Very low31.4Very low101 Ų101141 Ų14166%0.65678%0.779SS**  trans-116.3-178.2-133.842-25.2000114.6
507K34.1Very low31.6Very low215 Ų215142.4 Ų142.494%0.93578%0.777SS**  trans-140.8157.8154.7-72.4-162.9177.3179.20112.2
508S30.4Very low32Very low88 Ų88146 Ų14662%0.61578%0.783SS**  trans-107.7170.3-165.851.10000113.9
509Y30.1Very low32.1Very low229 Ų229147.1 Ų147.190%0.89878%0.784SS**  175.2142.7118.5-89.8-61.4000112.4
510P32.1Very low32.2Very low115 Ų115151.6 Ų151.675%0.74779%0.792SS**  trans-113.4160.7-179.940.3-32000114.9
511V36Very low32.2Very low149 Ų149153 Ų15390%0.90379%0.794SS**  trans-140.2150.7169.6-177.80000110.5
512N29.9Very low32.1Very low150 Ų150153.6 Ų153.680%0.80280%0.798SS**  trans-120.3170.5-174.7-101-46.9000112.7
513Q32.9Very low32.1Very low177 Ų177157.3 Ų157.383%0.82781%0.81SS**  trans77147.6174.6-46.3-170.414.800114.2
514L32.4Very low32.1Very low153 Ų153155.6 Ų155.680%0.80180%0.799SS**  cis-142.5171.232.3-160.166.6000113.6
515N28.9Very low31.9Very low144 Ų144152.8 Ų152.877%0.7779%0.791SS**  trans-98.6144.7-177.6-62.2-72.5000114.2
516L32.1Very low31.6Very low153 Ų153153.8 Ų153.880%0.80180%0.796SS**  trans-166.2109.7143.7-93.3130.6000107
517I31.2Very low31.1Very low133 Ų133160.9 Ų160.968%0.68281%0.809SS**  82.1132.980.3-73.9169.9000112.9
518Q33.3Very low30.9Very low183 Ų183160.4 Ų160.486%0.85581%0.807SS**  trans67.1140.9-177.8-68.1160.31.500115
519D32.4Very low30.8Very low148 Ų148165 Ų16579%0.79182%0.818SS**  cis-142.3152.2-4.7-160.3-0.9000111.8
520K28.9Very low30.8Very low189 Ų189162.2 Ų162.282%0.82282%0.818SS**  trans-110.388.3-176.7-78.7-177.9175.91730111.8
521N30.2Very low30.7Very low167 Ų167161.5 Ų161.589%0.89382%0.816SS**  trans-174.470.5156.2-97.2-35.8000114.8
522S28.7Very low30.4Very low109 Ų109166.1 Ų166.176%0.76282%0.819SS**  trans-149.46.5179.561.10000118.7
523I30.5Very low30.2Very low167 Ų167164 Ų16486%0.85682%0.815SS**  trans-11065.4-176.9-45.5-175.9000112.6
524I30.3Very low30Very low118 Ų118159.6 Ų159.661%0.60580%0.803SS**SBendtrans-134.6135.2160.6-58.9-178.2000107
525N30Very low30Very low146 Ų146159.1 Ų159.178%0.78180%0.8SS**SBendtrans88.746.7-178.8-53.8-35.1000119
526H29.6Very low30Very low196 Ų196157.1 Ų157.191%0.90779%0.789SS**  trans-144.871.4158.1-115.4-88.7000113.4
527R28.3Very low30Very low249 Ų249158.7 Ų158.794%0.9479%0.789SS**  trans-161.158.1172.5-116.2175.2-159.7-159.75.5114.4
528K29.8Very low30Very low206 Ų206160.5 Ų160.590%0.89679%0.794SS**SBendtrans-140.926.7172.5-86.2-163.4179.7177.30115.3
529H29.1Very low29.9Very low183 Ų183160.9 Ų160.985%0.84779%0.793SS**  trans-148.1163.9161-102.4-92.5000107.9
530L29.7Very low29.8Very low171 Ų171160.2 Ų160.290%0.89579%0.79SS**  trans70.5134.4-158.9-52.8157.1000112.2
531S30.9Very low29.8Very low101 Ų101162 Ų16271%0.70679%0.793SS**  cis-153.2127.5-11.437.10000110.2C533S531-C533 PolarHBondContact O-N 3.49Å; S531-C533 VanDerWaalsContact O-N 3.13Å
532Y28.8Very low29.7Very low245 Ų245159.3 Ų159.396%0.96178%0.783SS**  trans-8087.4167.6-87.7-87.8000108.6
533C26.9Very low29.8Very low107 Ų107159 Ų15972%0.72378%0.78SS**  trans-80.9129.6170.2-166.20000109.9S531 I535S531-C533 PolarHBondContact O-N 3.49Å; S531-C533 VanDerWaalsContact O-N 3.13Å; C533-I535 PolarHBondContact O-N 2.7Å
534C27.2Very low29.6Very low84 Ų84157.6 Ų157.657%0.56878%0.775SS**  trans-79.2101.1179.6-67.20000110.5D536 R798C534-D536 VanDerWaalsContact C-N 3.34Å; C534-D536 PolarHBondContact O-N 2.9Å; C534-R798 PolarHBondContact SG-NH2 2.89Å
535I33Very low29.6Very low142 Ų142162.4 Ų162.473%0.72879%0.787SS**  trans-88.679.4166.2-54.4-179000108.4C533 K537C533-I535 PolarHBondContact O-N 2.7Å; I535-K537 HydrophobicContact CG2-CG 4.05Å; I535-K537 PolarHBondContact O-N 2.89Å
536D28.8Very low29.6Very low102 Ų102162.4 Ų162.455%0.54579%0.792SS.*  trans-75.499.5164.6-75.3-63.5000108.3C534 H538 R798C534-D536 VanDerWaalsContact C-N 3.34Å; C534-D536 PolarHBondContact O-N 2.9Å; D536-H538 PolarHBondContact O-N 2.71Å; D536-R798 IonicContact OD1-CZ 3.46Å; D536-R798 IonicContact OD1-NE 2.8Å; D536-R798 PolarHBondContact OD1-NE 3.15Å; D536-R798 IonicContact OD1-NH2 3.71Å; D536-R798 PolarHBondContact OD1-NH2 3.11Å; D536-R798 IonicContact OD2-CZ 2.75Å; D536-R798 IonicContact OD2-NE 3.72Å; D536-R798 PolarHBondContact OD2-NE 3.11Å; D536-R798 IonicContact OD2-NH2 3.71Å; D536-R798 PolarHBondContact OD2-NH2 3.23Å
537K32.7Very low29.5Very low187 Ų187159.4 Ų159.481%0.81379%0.788SS**  trans-81.896.7169.5-82.7-156.3172-167.80109.6I535 K539I535-K537 HydrophobicContact CG2-CG 4.05Å; I535-K537 PolarHBondContact O-N 2.89Å; K537-K539 PolarHBondContact O-N 3.31Å
538H30.3Very low29.6Very low170 Ų170153.3 Ų153.379%0.78778%0.783SS**  trans-41.3126.7154.2-95.3-116.4000109.8D536D536-H538 PolarHBondContact O-N 2.71Å
539K32.8Very low29.7Very low192 Ų192148 Ų14884%0.83577%0.772SS**  trans-118.4108.1155.4-101.9-167.2165.3-101.90106.6K537 Y541K537-K539 PolarHBondContact O-N 3.31Å; K539-Y541 PolarHBondContact O-N 2.89Å; K539-Y541 VanDerWaalsContact O-N 3.11Å
540N28.8Very low29.9Very low134 Ų134145.3 Ų145.372%0.71776%0.764SS**  trans-54.9117.4178.6-57.7-0.1000108.8
541Y29.4Very low30.2Very low225 Ų225143.4 Ų143.488%0.88275%0.754SS**  trans-88.8108.4150.1-118.3-88.3000105.3K539 S543K539-Y541 PolarHBondContact O-N 2.89Å; K539-Y541 VanDerWaalsContact O-N 3.11Å; Y541-S543 PolarHBondContact O-N 3.4Å
542T29.2Very low30.3Very low111 Ų111144.3 Ų144.368%0.68175%0.752SS**  trans-67.7109.9165.943.70000106.9
543S30.1Very low30.5Very low102 Ų102140.2 Ų140.271%0.71374%0.741SS**  trans-98.6108.5164.9-173.90000106.5Y541 Y545Y541-S543 PolarHBondContact O-N 3.4Å; S543-Y545 PolarHBondContact O-N 3.28Å; S543-Y545 VanDerWaalsContact O-N 3.11Å
544D26.5Very low30.6Very low139 Ų139141 Ų14174%0.74374%0.738SS**  trans-72.3102.2179.4-55.4-62.8000109.8
545Y29.5Very low30.6Very low219 Ų219146.2 Ų146.286%0.85975%0.747SS**  trans-146135.2157.9-91.2-67.8000110.4S543S543-Y545 PolarHBondContact O-N 3.28Å; S543-Y545 VanDerWaalsContact O-N 3.11Å
546V30.9Very low30.3Very low145 Ų145146 Ų14688%0.87975%0.746SS**  trans-81.7145.5-172.5176.60000111.2
547T27.2Very low30.4Very low134 Ų134149.8 Ų149.882%0.82276%0.761SS**  trans-84.7130.1-176.450.10000113.9
548S31Very low30.1Very low120 Ų120145.8 Ų145.884%0.83976%0.756SS**  trans173.6140.9151.6178.70000109.1
549S31.7Very low30.3Very low96 Ų96146 Ų14667%0.67176%0.762SS**  cis-162172.4-27.1-162.20000108.6
550N33.5Very low30.2Very low125 Ų125144 Ų14467%0.66876%0.76SS**  trans69.5107.1156.9-65.810.9000120.3
551N34.3Very low30.3Very low131 Ų131143.2 Ų143.270%0.70176%0.762SS**  99.6133.5114-68.25.8000122.1
552N33.4Very low30.3Very low121 Ų121138.7 Ų138.765%0.64776%0.758SS**  trans72.4110.4153.1-63.827.6000117.8
553E32.6Very low30.3Very low158 Ų158138.6 Ų138.674%0.73876%0.762SS**  87.6146.589.1-76.2-176134.800111.8
554L30.3Very low30.4Very low125 Ų125143 Ų14365%0.65477%0.768SS**  cis-151.6142.1-1.4-154.673000109.8
555Y26.9Very low30.4Very low192 Ų192144.3 Ų144.375%0.75377%0.774SS**  trans54.7129.7145.6-82.4-138.6000120.6
556L27Very low30.3Very low138 Ų138138.2 Ų138.272%0.72376%0.764SS**  56.9138.599.6-73.7157000115
557Q31.4Very low30.3Very low181 Ų181139.9 Ų139.985%0.84676%0.762SS**  cis-156.2169.534.8-161.2163-5.100113.4
558S25.1Very low30.5Very low104 Ų104137.6 Ų137.673%0.72775%0.751SS**  trans-100.9144.9-175.655.50000114.8
559I33.9Very low30.4Very low175 Ų175141.1 Ų141.190%0.89775%0.747SS**  trans-137.1145.8165.5-61.5-176.5000110.4
560D30.6Very low30.1Very low148 Ų148146.3 Ų146.379%0.79175%0.754SS**  trans-78.6157.4-171.3-73.5-72.4000116.4
561P31.2Very low29.9Very low118 Ų118149.1 Ų149.177%0.76676%0.76SS**  trans-99.9109.9177.835.9-30.6000114.2
562T30.6Very low30Very low131 Ų131151.2 Ų151.280%0.80477%0.765SS**  trans-146.2135.8162.347.80000115.6
563S27.8Very low29.9Very low108 Ų108152.6 Ų152.676%0.75577%0.773SS**  trans84.7154.8156.585.10000120.5
564K32.8Very low29.7Very low195 Ų195151.2 Ų151.285%0.84878%0.775SS**  trans74.585.5165-63.1-177-179.31800119.9
565L26.8Very low29.8Very low166 Ų166153 Ų15387%0.86978%0.784SS**  31.2132.1119.1-118.874.5000121.8
566S27.3Very low29.8Very low92 Ų92149 Ų14964%0.64378%0.784SS**  trans93.6138.2131.781.10000121.1
567H31.5Very low30.3Very low180 Ų180147.7 Ų147.783%0.83378%0.784SS**  trans66.2144163.9-70.8-72000117.8
568S31.1Very low30.2Very low85 Ų85144.5 Ų144.559%0.59478%0.777SS**  cis-163.3147.5-8.2100.80000112.1
569Y27.9Very low30.7Very low195 Ų195147.6 Ų147.677%0.76578%0.783SS**  trans50.4167154.2-69.1-75000119.4
570Y26.9Very low30.6Very low204 Ų204144.8 Ų144.880%0.877%0.774SS**  cis-145.1153-9.1-123.1-61.1000104.1
571K29.2Very low30.6Very low185 Ų185143.5 Ų143.580%0.80477%0.772SS**  167.1176.274.8-153.9170.9-177.4176.70110
572Q35.8Very low30.8Very low174 Ų174143.5 Ų143.581%0.81377%0.77SS**  trans88.678.6165.9-64.2-177.1-28.900119.1
573N32Very low31Very low151 Ų151142.7 Ų142.781%0.80777%0.765SS**  35.6123.5119.5-60.227.4000120.8
574T26.8Very low31.2Very low128 Ų128144.7 Ų144.779%0.78577%0.766SS**  trans-46.2151.3147.349.90000115.3
575I33.2Very low31.3Very low163 Ų163142.4 Ų142.484%0.83676%0.761SS**  -163.7146.7128.2-100.8151.8000110.3
576S27.3Very low31.6Very low107 Ų107141.3 Ų141.375%0.74876%0.757SS**  trans-131.1165168.1-69.70000106
577P36.7Very low31.9Very low111 Ų111147.1 Ų147.172%0.72177%0.766SS**  cis-152.8-157.433.745.1-22.3000116
578T30.6Very low32Very low115 Ų115143.4 Ų143.471%0.70676%0.756SS**  trans41.3125.1147.9-46.80000121.4
579I33.8Very low32.2Very low168 Ų168145.9 Ų145.986%0.86276%0.763SS**  trans-132.1138151.9-64.4-179.7000109.3
580T33.3Very low32.5Very low116 Ų116143.4 Ų143.471%0.71276%0.763SS**  trans-121.5154.2171.9-45.10000109.4
581T31.1Very low32.8Very low121 Ų121139 Ų13974%0.74276%0.761SS**  trans-54.2157.2175.7-3.40000112.1
582T35.2Very low33.1Very low119 Ų119135 Ų13573%0.7376%0.757SS**  -175.2166.853.5-29.80000113.2
583T34.2Very low32.9Very low114 Ų114135.9 Ų135.970%0.69976%0.758SS**  trans88.799.6148.2-52.30000120.7
584I31.3Very low33Very low150 Ų150135 Ų13577%0.76975%0.754SS**  70.6139.497.2-24.5-167.5000118.3
585I35.9Very low33.1Very low146 Ų146136.1 Ų136.175%0.74976%0.755SS**  trans88.6143.9161.5-48.9179.4000115.5
586N32.6Very low32.9Very low144 Ų144137.7 Ų137.777%0.7776%0.761SS**  cis170.6178.4-42.2-120.94.2000106.9
587Y32.9Very low33Very low213 Ų213143.4 Ų143.484%0.83577%0.766SS**  trans81.5111-173.7-59.8-78.2000114.3
588T34.5Very low32.8Very low102 Ų102145 Ų14563%0.62677%0.774SS**  cis86.5102.132.475.70000116.2
589N35.3Very low32.9Very low138 Ų138143.1 Ų143.174%0.73878%0.777SS**  163.6153.6102-91.9-22.1000117
590N34.6Very low32.9Very low143 Ų143142.7 Ų142.777%0.76578%0.776SS**  trans68.496.9145.6-64.4-7000124
591S33.1Very low32.6Very low110 Ų110145.1 Ų145.177%0.76979%0.785SS**  104.1150.1108.4-159.10000122.1
592S34.2Very low32.6Very low101 Ų101145.9 Ų145.971%0.70678%0.783SS**  trans87.873.2150.2-57.80000121.3
593K32.4Very low32.2Very low193 Ų193145.8 Ų145.884%0.83979%0.787SS**  58.5134.1122.8-79-176.5177.9176.60122.8
594N33.7Very low32Very low134 Ų134148.7 Ų148.772%0.71780%0.795SS**  trans96.298.9144.2-63.9-3000120.8
595N28.8Very low31.8Very low151 Ų151151 Ų15181%0.80780%0.799SS**  trans50.5101.2133.3-60-8.5000121
596M30.3Very low31.7Very low195 Ų195150 Ų15096%0.96180%0.802SS**  -155.3155.3113.2-118173.270.100113.9
597R28.1Very low31.6Very low227 Ų227148.8 Ų148.886%0.85781%0.805SS**  trans-64.8141.3-178.5-76.4167.5155.9162.7-9.2112.9
598T33.5Very low31.4Very low146 Ų146147.4 Ų147.490%0.89680%0.804SS**  164.6166113.637.90000110.9
599G32.5Very low31.2Very low74 Ų74150 Ų15076%0.76381%0.813SS**  trans105.2110.5173.600000114.1
600N32.7Very low31Very low159 Ų159152.3 Ų152.385%0.8582%0.82SS**  trans-98.4115.6-179.8-69-41.8000111.6
601D27.7Very low31.1Very low168 Ų168152.9 Ų152.990%0.89882%0.822SS**  trans-97.7114.6160.6-104-38.5000110.2S603D601-S603 PolarHBondContact O-N 3.5Å
602I31.6Very low31Very low137 Ų137155.2 Ų155.270%0.70383%0.826SS**  trans-102.376.5178.2-54.6-175.6000110.4M604I602-M604 HydrophobicContact CG2-CG 4.09Å; I602-M604 PolarHBondContact O-N 2.75Å
603S25.5Very low31Very low116 Ų116157.4 Ų157.481%0.81183%0.829SS**  trans-83.297.8166.9-1740000110.6D601 K605D601-S603 PolarHBondContact O-N 3.5Å; S603-K605 PolarHBondContact O-N 3.42Å
604M30.8Very low31Very low175 Ų175159.1 Ų159.186%0.86283%0.83SS**  trans-89.490.8178.6-91-160.417100113.4I602I602-M604 HydrophobicContact CG2-CG 4.09Å; I602-M604 PolarHBondContact O-N 2.75Å
605K28.2Very low31.1Very low199 Ų199158.3 Ų158.387%0.86582%0.82SS**  trans-129.6153.7153.2-94.2-179179.5162.30110.8S603S603-K605 PolarHBondContact O-N 3.42Å
606P33.6Very low31.4Very low125 Ų125159.4 Ų159.481%0.81282%0.818SS**  -111.2147.6-127.337.7-34000115
607S29.4Very low31.6Very low118 Ų118156.2 Ų156.283%0.82580%0.804SS**  trans-123.6159.4166.4-1630000112.7
608K29.4Very low31.8Very low185 Ų185151.6 Ų151.680%0.80481%0.805SS**  trans-84.4145.2-171.5-46.4121.5178.4175.40110.4
609N29.6Very low31.7Very low155 Ų155153.3 Ų153.383%0.82980%0.802SS**  -173.9-175.8128.9-93.9-24.8000111.3
610Q32.2Very low31.8Very low188 Ų188157.2 Ų157.288%0.87980%0.803SS**SBendtrans68.525174.9-60.1-67.812.200119.3
611L34.9Very low31.7Very low155 Ų155159 Ų15981%0.81280%0.803SS**  trans-125.132.1167.2-150.574.2000115
612N31.5Very low31.9Very low159 Ų159158.1 Ų158.185%0.8580%0.799SS**SBendtrans-112.820.6-174.2-125.83.7000115.5
613L35.7Very low31.9Very low147 Ų147158.9 Ų158.977%0.7780%0.803SS**SBendtrans-123.8-2.8-176.9-146.572.4000116
614R32.2Very low32.2Very low229 Ų229162.4 Ų162.486%0.86481%0.806SS**SBendtrans-112.713-170.9-127.5172.9-180179.2-2116.1
615K35.9Very low32.1Very low116 Ų116157.9 Ų157.950%0.50481%0.805SS.*SBendtrans-133.8-2.8-179-75.1166.6175.1176.50115.2
616K34.1Very low32.2Very low174 Ų174155.2 Ų155.276%0.75780%0.8SS**SBendtrans-93.1-15.9170.5-88.9-170169.9-172.10114.1C618K616-C618 PolarHBondContact O-N 3.03Å
617L34.5Very low32.1Very low129 Ų129156.3 Ų156.368%0.67580%0.799SS**THydrogen-bonded Turntrans-87.65.1-172.8-86.4163.4000116.2
618C31.4Very low32.3Very low129 Ų129158.1 Ų158.187%0.87280%0.799SS**THydrogen-bonded Turntrans-118.520.8174.5-58.20000112.9K616K616-C618 PolarHBondContact O-N 3.03Å
619H32.1Very low32.5Very low183 Ų183156.3 Ų156.385%0.84780%0.799SS**SBendtrans-142.122.3178.2-147.3-69.4000112.5
620M33.9Very low32.5Very low156 Ų156155.4 Ų155.477%0.76879%0.794SS**  trans-131.924.1-172.9-151.4166.8-174.300112.7
621F31.3Very low32.4Very low197 Ų197153.6 Ų153.686%0.86479%0.79SS**  trans-125.375.8166.8-88.8-80.6000108.9
622N32Very low32.2Very low149 Ų149151.6 Ų151.680%0.79778%0.784SS**SBendtrans-156114.2162.7-117.6-13.5000109
623L30.7Very low31.9Very low152 Ų152153.9 Ų153.980%0.79678%0.782SS**  trans51.892152.8-55.7171.6000118
624H32.9Very low31.7Very low190 Ų190153 Ų15388%0.8878%0.778SS**  -150.390.9128-112.468.9000109.7N626H624-N626 PolarHBondContact O-N 3.04Å
625G29.4Very low31.6Very low81 Ų81147.2 Ų147.284%0.83576%0.764SS**  trans-84.999.3166.600000108.3N627G625-N627 PolarHBondContact O-N 2.79Å
626N30Very low31.3Very low143 Ų143147.7 Ų147.777%0.76577%0.773SS**  trans-85.891.4-176.6-171.921000111.2H624H624-N626 PolarHBondContact O-N 3.04Å
627N31.3Very low31.2Very low147 Ų147148.7 Ų148.779%0.78678%0.777SS**  trans-111.7117.5157.1-91.10.3000108G625G625-N627 PolarHBondContact O-N 2.79Å
628N33.6Very low31.1Very low156 Ų156149.7 Ų149.783%0.83478%0.778SS**  -166.9148.4124.1-96-20.3000110.8
629N33.3Very low31Very low147 Ų147150.9 Ų150.979%0.78677%0.774SS**  trans-76.9150.5179.2-63.2-40.4000111.4
630N28.6Very low31.1Very low137 Ų137147.3 Ų147.373%0.73377%0.765SS**  trans29.1102.2139.1-51.9-9000117.5
631N31.6Very low31Very low150 Ų150145.2 Ų145.280%0.80276%0.761SS**  -178.9120115-83.2-22.3000108.2
632V29.3Very low31Very low112 Ų112143.4 Ų143.468%0.67976%0.755SS**  91.9126.955.4165.40000111.6
633Y27Very low31.1Very low207 Ų207140.9 Ų140.981%0.81275%0.749SS**  trans61.6117.2-168.3-67.4-76.4000116.1
634N29.7Very low31.1Very low128 Ų128140 Ų14068%0.68475%0.75SS**  cis110.3156.415.9-169.331.7000113.3
635N31.4Very low31.1Very low108 Ų108135.2 Ų135.258%0.57874%0.738SS**  trans8798168.1-64.7-32.6000120.6
636N29.7Very low31.4Very low127 Ų127138.4 Ų138.468%0.67974%0.736SS**  61.7116.6114.6-51.5-20.2000121.7
637K32.3Very low31.5Very low194 Ų194139 Ų13984%0.84374%0.739SS**  176.2150111.3-95.8163.7-179.2179.80110.3
638H31.5Very low31.4Very low151 Ų151137.2 Ų137.270%0.69974%0.735SS**  cis-170.4161.9-18.5-133.9-133.9000108
639I30.6Very low31.2Very low153 Ų153135 Ų13579%0.78573%0.731SS**  trans67.4156.9161.2-78.6165.5000115
640V32.9Very low31Very low109 Ų109135.1 Ų135.166%0.66173%0.732SS**  cis-168.8163.6-35.180.70000105.4
641T32.2Very low31.4Very low112 Ų112136.7 Ų136.769%0.68774%0.739SS**  cis-93.7-173.7-2.931.30000111.9
642Q31Very low31.4Very low159 Ų159136.9 Ų136.974%0.74374%0.74SS**  cis75134.729.4-42.3179.8-8.300115.3
643S33.7Very low31.6Very low95 Ų95136 Ų13666%0.66474%0.736SS**  cis-141.8137.620.6-47.20000114.6
644T31.4Very low31.8Very low134 Ų134133.1 Ų133.182%0.82274%0.735SS**  trans48.7142.9131.561.10000121.4
645S33.8Very low31.8Very low89 Ų89133 Ų13362%0.62274%0.739SS**  cis-163.6154.316.947.70000113.3
646N34.3Very low31.8Very low148 Ų148137.3 Ų137.379%0.79176%0.758SS**  trans66145.9151.7-56.2-9.2000118
647L32.2Very low31.7Very low157 Ų157137.1 Ų137.182%0.82276%0.762SS**  cis-149.8151-4.9-160.666.6000109.1
648P30.2Very low31.5Very low108 Ų108135.3 Ų135.370%0.70176%0.76SS**  trans-113.8177-172.741.8-35.4000116.5
649S29Very low31.4Very low109 Ų109134 Ų13476%0.76276%0.763SS**  trans93.2144145.878.70000121.8
650N29.2Very low31.1Very low150 Ų150133.2 Ų133.280%0.80277%0.766SS**  trans46.8120157.9-74.1-14.5000121.8
651I35.6Very low31Very low171 Ų171134.3 Ų134.388%0.87777%0.773SS**  -152.7139.3108.7-94.9148.9000107.6
652N31.7Very low30.9Very low153 Ų153135.1 Ų135.182%0.81877%0.773SS**  trans-101.3165175.8-132.518.8000109.5
653P34.5Very low30.9Very low94 Ų94134.5 Ų134.561%0.6177%0.77SS**  trans-80.2157.9-168.234.8-36.5000113.1
654D31.3Very low30.9Very low146 Ų146136.6 Ų136.678%0.78177%0.774SS**  -174.7161.3111-97.5-26.5000114.2
655T29.7Very low30.8Very low125 Ų125137.2 Ų137.277%0.76777%0.772SS**  trans47.9114.9163.246.80000120.7
656M32.1Very low30.8Very low200 Ų200140.3 Ų140.399%0.98578%0.782SS**  -140.6131.7121.2-111.4-174.9-171.300111
657T26Very low30.6Very low122 Ų122141.1 Ų141.175%0.74879%0.786SS**  trans-92.2156.9-176.847.80000112.3
658L29.4Very low30.7Very low156 Ų156141.4 Ų141.482%0.81779%0.787SS**  trans-159.5107.7139.8-107.7158.2000112.5
659T29.7Very low30.6Very low123 Ų123144.8 Ų144.876%0.75579%0.79SS**  trans39.2129.9146.853.30000122.2
660T24.3Very low30.6Very low138 Ų138148.1 Ų148.185%0.84780%0.796SS**  trans-96.6130.217647.90000114.9
661T30.5Very low30.8Very low131 Ų131148.2 Ų148.280%0.80479%0.792SS**  trans-175.8152.9152.415.40000106.7
662N29.3Very low30.5Very low129 Ų129148.5 Ų148.569%0.6979%0.794SS**  cis-153168.2-23.1-1416.5000105.8
663Q30.8Very low30.7Very low146 Ų146148.7 Ų148.768%0.68279%0.794SS**  cis-153.1-163.12-159.9163.7-5.800107.3
664N33Very low30.8Very low139 Ų139150.1 Ų150.174%0.74380%0.801SS**  trans49.166.2160.6-72.1-1.8000117.6
665N30.6Very low30.9Very low147 Ų147149.4 Ų149.479%0.78681%0.805SS**  18.6105.3129-59.5-10.2000117.6
666N32.6Very low31.3Very low154 Ų154149 Ų14982%0.82480%0.802SS**  178.551.1125.4-89-23.1000113
667N31.2Very low31.3Very low165 Ų165145.5 Ų145.588%0.88279%0.792SS**  trans-96.998.1175.3-82.9-36.3000111.8K669N667-K669 PolarHBondContact O-N 3.05Å; N667-K669 VanDerWaalsContact O-N 3.13Å
668I33.3Very low31.6Very low163 Ų163147.1 Ų147.184%0.83680%0.795SS**  trans-66.6107.6174.4-61.1173.9000109.3M670I668-M670 PolarHBondContact O-N 3.24Å
669K28.2Very low31.6Very low179 Ų179146.8 Ų146.878%0.77880%0.8SS**  trans-66.996.9168.9-81.3-176.5175.4176.10109.7N667 Q671N667-K669 PolarHBondContact O-N 3.05Å; N667-K669 VanDerWaalsContact O-N 3.13Å; K669-Q671 PolarHBondContact O-N 2.96Å
670M29.2Very low31.9Very low180 Ų180146.1 Ų146.189%0.88780%0.796SS**  trans-76.470.2174.6-158.4176.180.100111I668I668-M670 PolarHBondContact O-N 3.24Å
671Q34.6Very low32.1Very low152 Ų152144.5 Ų144.571%0.7179%0.79SS**  trans-69.1140.1177.6-84-179.5-46.500111.9K669 L673K669-Q671 PolarHBondContact O-N 2.96Å; Q671-L673 PolarHBondContact O-N 3.31Å
672L28.6Very low32.1Very low177 Ų177146.3 Ų146.393%0.92779%0.794SS**  trans-82.581.3-170.1-172.372.4000111.6
673L35.3Very low32.1Very low157 Ų157146.5 Ų146.582%0.82280%0.8SS**  trans-86132.1179.5-76.6157.5000112.4Q671Q671-L673 PolarHBondContact O-N 3.31Å
674T37.2Very low32.3Very low123 Ų123148 Ų14876%0.75581%0.812SS**  trans-83134.8-17943.90000111.6T676T674-T676 PolarHBondContact O-N 3.28Å
675P34.1Very low32.3Very low132 Ų132149.9 Ų149.986%0.85781%0.814SS**  trans-87.497.3-170.533.1-35.1000112.9
676T36.7Very low32.5Very low117 Ų117148.8 Ų148.872%0.71881%0.808SS**  trans-135.7123.6162.1-36.60000110.1T674T674-T676 PolarHBondContact O-N 3.28Å
677T33.1Very low32.6Very low125 Ų125149.2 Ų149.277%0.76781%0.81SS**  trans28.8104.216353.90000118.8
678L31.9Very low32.5Very low156 Ų156148.5 Ų148.582%0.81781%0.806SS**  trans-154.8108.1132.8-112.2163.4000110.1T680L678-T680 PolarHBondContact O-N 2.91Å
679T29.3Very low32.6Very low149 Ų149147.3 Ų147.391%0.91480%0.8SS**  trans-74.6100.2165.931.30000108.7
680T35.5Very low32.6Very low110 Ų110144.4 Ų144.468%0.67580%0.798SS**  trans-123.3123.2172.4-410000109L678 L682L678-T680 PolarHBondContact O-N 2.91Å; T680-L682 PolarHBondContact O-N 2.83Å
681S30Very low32.7Very low104 Ų104141.5 Ų141.573%0.72778%0.784SS**  trans-72.8123.3-179.149.30000111.6
682L29.9Very low32.7Very low168 Ų168139.8 Ų139.888%0.8879%0.785SS**  trans-117.3100.5159.2-76.1174.8000108.7T680 L684T680-L682 PolarHBondContact O-N 2.83Å; L682-L684 PolarHBondContact O-N 3.28Å
683T29.8Very low33.5Very low134 Ų134135 Ų13582%0.82277%0.766SS**  trans-76.8108.1173.147.90000109.5
684L33.9Very low33.7Very low178 Ų178134 Ų13493%0.93276%0.762SS**  trans-115.9148.2157.1-75173.7000108.5L682L682-L684 PolarHBondContact O-N 3.28Å
685K33Very low34.2Very low178 Ų178135.3 Ų135.377%0.77476%0.763SS**  trans-124.5133.5-151.9179.8177.6177.3-1720110.4
686D34.8Very low35.3Very low124 Ų124134.3 Ų134.366%0.66375%0.749SS**  trans46107.5163-49.5-23.2000118.1
687D35.6Very low36Very low162 Ų162131.5 Ų131.587%0.86673%0.733SS**  -170.2157.2124.3-98.6-18.1000111.6I689D687-I689 PolarHBondContact O-N 3.36Å
688D29.5Very low37.4Very low150 Ų150131.8 Ų131.880%0.80273%0.729SS**  trans-71.5112.9-163.1-85.3-54.8000115.9
689I34Very low38.7Very low139 Ų139131.4 Ų131.471%0.71372%0.723SS**  trans-138.7108.8143.2-40.5176.9000111.2D687 I691D687-I689 PolarHBondContact O-N 3.36Å; I689-I691 HydrophobicContact CB-CD1 4.37Å; I689-I691 HydrophobicContact CB-CG1 3.92Å; I689-I691 HydrophobicContact CG2-CD1 3.99Å; I689-I691 HydrophobicContact CG2-CG1 3.36Å; I689-I691 PolarHBondContact O-N 2.82Å
690T28.8Very low40.3Very low118 Ų118129.8 Ų129.872%0.72471%0.705SS**  trans-74.459.2176.3-35.10000112.4T692T690-T692 VanDerWaalsContact C-N 3.27Å; T690-T692 PolarHBondContact O-N 3.26Å
691I31.3Very low42Very low119 Ų119128.8 Ų128.861%0.6170%0.698SS**  trans-70.184.7179.3-48-176.7000109.8I689 S693I689-I691 HydrophobicContact CB-CD1 4.37Å; I689-I691 HydrophobicContact CB-CG1 3.92Å; I689-I691 HydrophobicContact CG2-CD1 3.99Å; I689-I691 HydrophobicContact CG2-CG1 3.36Å; I689-I691 PolarHBondContact O-N 2.82Å; I691-S693 PolarHBondContact O-N 2.81Å
692T34.4Very low44.2Very low116 Ų116129.1 Ų129.171%0.71269%0.688SS**  trans-69.359.5162.845.10000110.2T690 N694T690-T692 VanDerWaalsContact C-N 3.27Å; T690-T692 PolarHBondContact O-N 3.26Å; T692-N694 PolarHBondContact O-N 3.09Å; T692-N694 VanDerWaalsContact O-N 3.15Å; T692-N694 PolarHBondContact O-ND2 3.48Å
693S44.8Very low46.4Very low77 Ų77123.9 Ų123.954%0.53866%0.663SS.*  trans-61.3116.6176.849.30000108.5I691 L695I691-S693 PolarHBondContact O-N 2.81Å; S693-L695 PolarHBondContact O-N 2.97Å
694N41.1Very low48.6Very low136 Ų136121.4 Ų121.473%0.72765%0.645SS**  trans-77.772.6-174-78.1-99.5000109.9T692 I696T692-N694 PolarHBondContact O-N 3.09Å; T692-N694 VanDerWaalsContact O-N 3.15Å; T692-N694 PolarHBondContact O-ND2 3.48Å; N694-I696 HydrophobicContact CB-CG1 4.44Å; N694-I696 PolarHBondContact O-N 3.02Å
695L45.8Very low50.8Low150 Ų150120.5 Ų120.579%0.78563%0.629SS**  trans-69.363.1163.7-97.278.5000110S693 P697S693-L695 PolarHBondContact O-N 2.97Å; L695-P697 VanDerWaalsContact O-CD 3.31Å; L695-P697 WeakPolarHBondContact O-CD 3.35Å; L695-P697 VanDerWaalsContact O-N 3.09Å
696I57.4Low53Low110 Ų110118 Ų11856%0.56462%0.62SS**  trans-58.6112.6161.2-62.2172.7000105.2N694 I698N694-I696 HydrophobicContact CB-CG1 4.44Å; N694-I696 PolarHBondContact O-N 3.02Å; I696-I698 PolarHBondContact O-N 3.49Å
697P52.6Low55.1Low58 Ų58117.5 Ų117.538%0.37761%0.609SS.*  trans-65.8127.3-160.222.9-33.4000110.4L695 Q699 Q700L695-P697 VanDerWaalsContact O-CD 3.31Å; L695-P697 WeakPolarHBondContact O-CD 3.35Å; L695-P697 VanDerWaalsContact O-N 3.09Å; P697-Q699 PolarHBondContact O-N 3.36Å; P697-Q700 HydrophobicContact CG-CB 4.3Å; P697-Q700 HydrophobicContact CG-CG 3.81Å; P697-Q700 WeakPolarHBondContact O-CB 3.33Å; P697-Q700 PolarHBondContact O-N 3.36Å
698I61.2Low57.2Low132 Ų132114.7 Ų114.768%0.67759%0.594SS**Hα-helixtrans-52.2-33.9-172.5-63.4171.5000111.8I696 Q700 T701 Q702I696-I698 PolarHBondContact O-N 3.49Å; I698-Q700 PolarHBondContact O-N 2.86Å; I698-T701 PolarHBondContact O-N 3.43Å; I698-Q702 WeakPolarHBondContact O-CG 3.41Å; I698-Q702 PolarHBondContact O-N 3.23Å; I698-Q702 VanDerWaalsContact O-N 3.08Å
699Q59.5Low59.7Low148 Ų148111.2 Ų111.269%0.69257%0.573SS**Hα-helixtrans-57.3-41.9173.6-67.1177.4-12.800113.7P697 T701 Q702 V703P697-Q699 PolarHBondContact O-N 3.36Å; Q699-T701 VanDerWaalsContact C-N 3.33Å; Q699-T701 PolarHBondContact O-N 2.98Å; Q699-Q702 PolarHBondContact O-N 3.39Å; Q699-V703 WeakPolarHBondContact O-CB 3.33Å; Q699-V703 WeakPolarHBondContact O-CG2 3.14Å; Q699-V703 PolarHBondContact O-N 3.11Å
700Q64.7Low61.8Low115 Ų115106.1 Ų106.154%0.53755%0.551SS.*Hα-helixtrans-65.3-38.5178.6-74.8-179.210.800111.4P697 I698 N704P697-Q700 HydrophobicContact CG-CB 4.3Å; P697-Q700 HydrophobicContact CG-CG 3.81Å; P697-Q700 WeakPolarHBondContact O-CB 3.33Å; P697-Q700 PolarHBondContact O-N 3.36Å; I698-Q700 PolarHBondContact O-N 2.86Å; Q700-N704 VanDerWaalsContact O-CB 3.25Å; Q700-N704 WeakPolarHBondContact O-CB 3.46Å; Q700-N704 VanDerWaalsContact O-CG 3.22Å; Q700-N704 PolarHBondContact O-N 3.34Å; Q700-N704 PolarHBondContact O-ND2 3.15Å; Q700-N704 VanDerWaalsContact O-ND2 3.15Å
701T71.2Confident64.3Low88 Ų88106 Ų10654%0.5454%0.54SS..Hα-helixtrans-64.9-40.3175.4-55.10000111.4I698 Q699 R705I698-T701 PolarHBondContact O-N 3.43Å; Q699-T701 VanDerWaalsContact C-N 3.33Å; Q699-T701 PolarHBondContact O-N 2.98Å; T701-R705 WeakPolarHBondContact O-CB 3.37Å; T701-R705 PolarHBondContact O-N 3.38Å
702Q74.3Confident66.7Low111 Ų111108.2 Ų108.252%0.51954%0.541SS..Hα-helixtrans-64.9-52174.7-71171.9-39.100112I698 Q699 N704 R705 E706I698-Q702 WeakPolarHBondContact O-CG 3.41Å; I698-Q702 PolarHBondContact O-N 3.23Å; I698-Q702 VanDerWaalsContact O-N 3.08Å; Q699-Q702 PolarHBondContact O-N 3.39Å; Q702-N704 VanDerWaalsContact C-N 3.29Å; Q702-N704 PolarHBondContact O-N 2.94Å; Q702-R705 WeakPolarHBondContact O-CA 3.36Å; Q702-R705 WeakPolarHBondContact O-CB 3.44Å; Q702-R705 PolarHBondContact O-N 3.33Å; Q702-E706 PolarHBondContact O-N 3.34Å
703V76.2Confident68.9Low58 Ų58108 Ų10835%0.35253%0.532SS..Hα-helixtrans-60.7-37.8178.9170.30000111.7Q699 R707Q699-V703 WeakPolarHBondContact O-CB 3.33Å; Q699-V703 WeakPolarHBondContact O-CG2 3.14Å; Q699-V703 PolarHBondContact O-N 3.11Å; V703-R707 WeakPolarHBondContact O-CB 3.09Å; V703-R707 WeakPolarHBondContact O-CD 3.39Å; V703-R707 WeakPolarHBondContact O-CG 3.36Å; V703-R707 PolarHBondContact O-N 3.05Å
704N77.2Confident70.8Confident82 Ų82110.3 Ų110.344%0.43953%0.529SS..Hα-helixtrans-68.9-35.3174.9-74.9-28.7000112.4Q700 Q702 L708Q700-N704 VanDerWaalsContact O-CB 3.25Å; Q700-N704 WeakPolarHBondContact O-CB 3.46Å; Q700-N704 VanDerWaalsContact O-CG 3.22Å; Q700-N704 PolarHBondContact O-N 3.34Å; Q700-N704 PolarHBondContact O-ND2 3.15Å; Q700-N704 VanDerWaalsContact O-ND2 3.15Å; Q702-N704 VanDerWaalsContact C-N 3.29Å; Q702-N704 PolarHBondContact O-N 2.94Å; N704-L708 WeakPolarHBondContact O-CB 3.28Å; N704-L708 VanDerWaalsContact O-CG 3.27Å; N704-L708 WeakPolarHBondContact O-CG 3.32Å; N704-L708 PolarHBondContact O-N 3.21Å
705R80.1Confident72.8Confident159 Ų159110.2 Ų110.260%0.652%0.522SS*.Hα-helixtrans-64-50.3172.9178.4178.8173.21576111.7T701 Q702 R707 L708 E709T701-R705 WeakPolarHBondContact O-CB 3.37Å; T701-R705 PolarHBondContact O-N 3.38Å; Q702-R705 WeakPolarHBondContact O-CA 3.36Å; Q702-R705 WeakPolarHBondContact O-CB 3.44Å; Q702-R705 PolarHBondContact O-N 3.33Å; R705-R707 VanDerWaalsContact C-N 3.29Å; R705-R707 PolarHBondContact O-N 2.9Å; R705-L708 WeakPolarHBondContact O-CA 3.43Å; R705-L708 WeakPolarHBondContact O-CB 3.41Å; R705-L708 PolarHBondContact O-N 3.08Å; R705-E709 HydrophobicContact CG-CG 4.44Å; R705-E709 IonicContact CZ-OE1 3.37Å; R705-E709 VanDerWaalsContact CZ-OE1 3.27Å; R705-E709 IonicContact NE-OE1 3.76Å; R705-E709 PolarHBondContact NE-OE1 2.71Å; R705-E709 IonicContact NE-OE2 3.62Å; R705-E709 IonicContact NH2-OE1 2.75Å; R705-E709 PolarHBondContact NH2-OE1 3.12Å; R705-E709 PolarHBondContact O-N 3.26Å
706E78.7Confident74.7Confident127 Ų127105 Ų10559%0.59350%0.5SS*.Hα-helixtrans-58.1-42176.7-68.8176.5173.600111.6Q702 L708 E709 A710Q702-E706 PolarHBondContact O-N 3.34Å; E706-L708 VanDerWaalsContact C-N 3.31Å; E706-L708 PolarHBondContact O-N 3.45Å; E706-E709 PolarHBondContact O-N 2.92Å; E706-A710 VanDerWaalsContact O-CB 3.29Å; E706-A710 WeakPolarHBondContact O-CB 3.28Å; E706-A710 PolarHBondContact O-N 3.04Å
707R79Confident76.2Confident113 Ų113101.4 Ų101.443%0.42648%0.482SS..Hα-helixtrans-64.1-31.4174.7-75.2168.6169177.2-5.9113.1V703 R705 K711V703-R707 WeakPolarHBondContact O-CB 3.09Å; V703-R707 WeakPolarHBondContact O-CD 3.39Å; V703-R707 WeakPolarHBondContact O-CG 3.36Å; V703-R707 PolarHBondContact O-N 3.05Å; R705-R707 VanDerWaalsContact C-N 3.29Å; R705-R707 PolarHBondContact O-N 2.9Å; R707-K711 WeakPolarHBondContact O-CB 3.45Å; R707-K711 WeakPolarHBondContact O-CD 3.5Å; R707-K711 WeakPolarHBondContact O-CG 3.36Å; R707-K711 PolarHBondContact O-N 3.45Å
708L80.1Confident77.9Confident103 Ų103103.2 Ų103.254%0.53949%0.488SS..Hα-helixtrans-77-41.5175-75.5166.7000111.8N704 R705 E706 K711 R712N704-L708 WeakPolarHBondContact O-CB 3.28Å; N704-L708 VanDerWaalsContact O-CG 3.27Å; N704-L708 WeakPolarHBondContact O-CG 3.32Å; N704-L708 PolarHBondContact O-N 3.21Å; R705-L708 WeakPolarHBondContact O-CA 3.43Å; R705-L708 WeakPolarHBondContact O-CB 3.41Å; R705-L708 PolarHBondContact O-N 3.08Å; E706-L708 VanDerWaalsContact C-N 3.31Å; E706-L708 PolarHBondContact O-N 3.45Å; L708-K711 PolarHBondContact O-N 3.3Å; L708-R712 WeakPolarHBondContact O-CG 3.48Å; L708-R712 PolarHBondContact O-N 3.5Å
709E81.1Confident79.2Confident77 Ų7797.6 Ų97.636%0.3646%0.46SS..Hα-helixtrans-63-49.7175.8-71.9171168.500110.1R705 E706 K711 R712 E713R705-E709 HydrophobicContact CG-CG 4.44Å; R705-E709 IonicContact CZ-OE1 3.37Å; R705-E709 VanDerWaalsContact CZ-OE1 3.27Å; R705-E709 IonicContact NE-OE1 3.76Å; R705-E709 PolarHBondContact NE-OE1 2.71Å; R705-E709 IonicContact NE-OE2 3.62Å; R705-E709 IonicContact NH2-OE1 2.75Å; R705-E709 PolarHBondContact NH2-OE1 3.12Å; R705-E709 PolarHBondContact O-N 3.26Å; E706-E709 PolarHBondContact O-N 2.92Å; E709-K711 VanDerWaalsContact C-N 3.26Å; E709-K711 PolarHBondContact O-N 3.27Å; E709-R712 WeakPolarHBondContact O-CA 3.37Å; E709-R712 WeakPolarHBondContact O-CB 3.5Å; E709-R712 PolarHBondContact O-N 3Å; E709-E713 WeakPolarHBondContact O-CG 3.37Å; E709-E713 PolarHBondContact O-N 3.19Å
710A79.1Confident80.7Confident31 Ų3191.9 Ų91.926%0.25643%0.434SS..Hα-helixtrans-62.6-26.8174.200000114.1E706 R714E706-A710 VanDerWaalsContact O-CB 3.29Å; E706-A710 WeakPolarHBondContact O-CB 3.28Å; E706-A710 PolarHBondContact O-N 3.04Å; A710-R714 WeakPolarHBondContact O-CG 3.21Å; A710-R714 PolarHBondContact O-N 2.9Å
711K80.4Confident82Confident115 Ų11588.2 Ų88.250%0.542%0.423SS..Hα-helixtrans-73.5-35.2171.2-83.3174.5179.9-175.70112.1R707 L708 E709 K715R707-K711 WeakPolarHBondContact O-CB 3.45Å; R707-K711 WeakPolarHBondContact O-CD 3.5Å; R707-K711 WeakPolarHBondContact O-CG 3.36Å; R707-K711 PolarHBondContact O-N 3.45Å; L708-K711 PolarHBondContact O-N 3.3Å; E709-K711 VanDerWaalsContact C-N 3.26Å; E709-K711 PolarHBondContact O-N 3.27Å; K711-K715 PolarHBondContact O-N 3.42Å
712R82.2Confident83Confident167 Ų16786 Ų8663%0.6341%0.408SS*.Hα-helixtrans-69.4-43.9173.9-70.7172.3178.1-172.2-2.9111.2L708 E709 R714 K715 A716L708-R712 WeakPolarHBondContact O-CG 3.48Å; L708-R712 PolarHBondContact O-N 3.5Å; E709-R712 WeakPolarHBondContact O-CA 3.37Å; E709-R712 WeakPolarHBondContact O-CB 3.5Å; E709-R712 PolarHBondContact O-N 3Å; R712-R714 PolarHBondContact O-N 2.77Å; R712-K715 PolarHBondContact O-N 3.18Å; R712-K715 VanDerWaalsContact O-N 3.13Å; R712-A716 PolarHBondContact O-N 3.39Å
713E81.1Confident83.8Confident112 Ų11281.2 Ų81.252%0.52339%0.386SS..Hα-helixtrans-56.2-46.4176.1-71.5178.8159.600112.4E709 K715 A716 I717E709-E713 WeakPolarHBondContact O-CG 3.37Å; E709-E713 PolarHBondContact O-N 3.19Å; E713-K715 VanDerWaalsContact C-N 3.33Å; E713-K715 PolarHBondContact O-N 2.92Å; E713-A716 PolarHBondContact O-N 2.81Å; E713-I717 WeakPolarHBondContact O-CG1 3.12Å; E713-I717 PolarHBondContact O-N 3.04Å
714R82.9Confident84.5Confident124 Ų12478.8 Ų78.847%0.46837%0.371SS..Hα-helixtrans-60.4-39.9176-70.5176.3-148.1-173.74.4112.7A710 R712 I717 L718A710-R714 WeakPolarHBondContact O-CG 3.21Å; A710-R714 PolarHBondContact O-N 2.9Å; R712-R714 PolarHBondContact O-N 2.77Å; R714-I717 PolarHBondContact O-N 3.34Å; R714-L718 WeakPolarHBondContact O-CB 3.4Å; R714-L718 PolarHBondContact O-N 2.94Å
715K84.6Confident85.3Confident134 Ų13476.2 Ų76.258%0.58336%0.364SS*.Hα-helixtrans-66.6-38.1175.6-72.2-170.4175.3-159.90112.3K711 R712 E713 L718 T719K711-K715 PolarHBondContact O-N 3.42Å; R712-K715 PolarHBondContact O-N 3.18Å; R712-K715 VanDerWaalsContact O-N 3.13Å; E713-K715 VanDerWaalsContact C-N 3.33Å; E713-K715 PolarHBondContact O-N 2.92Å; K715-L718 PolarHBondContact O-N 2.96Å; K715-T719 WeakPolarHBondContact O-CB 3.42Å; K715-T719 PolarHBondContact O-N 3.22Å; K715-T719 PolarHBondContact O-OG1 3.01Å
716A85.5Confident85.9Confident40 Ų4070.2 Ų70.233%0.33135%0.346SS..Hα-helixtrans-64.4-43.3173.900000111.8R712 E713 T719 L720R712-A716 PolarHBondContact O-N 3.39Å; E713-A716 PolarHBondContact O-N 2.81Å; A716-T719 PolarHBondContact O-N 3.18Å; A716-L720 WeakPolarHBondContact O-CG 3.24Å; A716-L720 PolarHBondContact O-N 2.88Å
717I87.8Confident86.5Confident35 Ų3564.3 Ų64.318%0.17932%0.318CS..Hα-helixtrans-62.2-45.7175.2-67.2164.5000111V55 I143 E713 R714 T719 L720 A721V55-I717 HydrophobicContact CG2-CD1 3.74Å; I143-I717 HydrophobicContact CG2-CD1 4.32Å; I143-I717 HydrophobicContact CG2-CG2 3.83Å; E713-I717 WeakPolarHBondContact O-CG1 3.12Å; E713-I717 PolarHBondContact O-N 3.04Å; R714-I717 PolarHBondContact O-N 3.34Å; I717-T719 PolarHBondContact O-N 2.89Å; I717-L720 PolarHBondContact O-N 3.32Å; I717-A721 PolarHBondContact O-N 3.12Å
718L89.1Confident87.2Confident97 Ų9759.9 Ų59.951%0.50830%0.303SS..Hα-helixtrans-60.3-43.6176.4179.262.7000111.8R714 K715 L720 A721 I722R714-L718 WeakPolarHBondContact O-CB 3.4Å; R714-L718 PolarHBondContact O-N 2.94Å; K715-L718 PolarHBondContact O-N 2.96Å; L718-L720 VanDerWaalsContact C-N 3.33Å; L718-L720 PolarHBondContact O-N 3.45Å; L718-A721 PolarHBondContact O-N 2.92Å; L718-I722 HydrophobicContact CD1-CD1 4.13Å; L718-I722 HydrophobicContact CD1-CG1 4.39Å; L718-I722 HydrophobicContact CG-CD1 3.92Å; L718-I722 VanDerWaalsContact O-CG1 3.3Å; L718-I722 WeakPolarHBondContact O-CG1 3.28Å; L718-I722 PolarHBondContact O-N 2.87Å
719T89.5Confident87.8Confident13 Ų1360.8 Ų60.88%0.0831%0.308CS..Hα-helixtrans-60.6-43177.5-53.10000111.2K715 A716 I717 I722 I723 I771 F775K715-T719 WeakPolarHBondContact O-CB 3.42Å; K715-T719 PolarHBondContact O-N 3.22Å; K715-T719 PolarHBondContact O-OG1 3.01Å; A716-T719 PolarHBondContact O-N 3.18Å; I717-T719 PolarHBondContact O-N 2.89Å; T719-I722 PolarHBondContact O-N 3.21Å; T719-I723 HydrophobicContact CG2-CD1 4.03Å; T719-I723 VanDerWaalsContact O-CG1 3.29Å; T719-I723 WeakPolarHBondContact O-CG1 3.27Å; T719-I723 PolarHBondContact O-N 2.96Å; T719-I771 HydrophobicContact CG2-CG2 4.34Å; T719-F775 HydrophobicContact CG2-CB 3.95Å
720L90.2Very high88.4Confident28 Ų2857.5 Ų57.515%0.14729%0.293CS..Hα-helixtrans-68.5-36.9177.9-68.5172.9000112.7I47 R51 Y140 A716 I717 L718 I723 T724I47-L720 HydrophobicContact CG2-CD1 3.96Å; I47-L720 HydrophobicContact CG2-CD2 3.94Å; I47-L720 HydrophobicContact CG2-CG 4.48Å; R51-L720 HydrophobicContact CG-CD1 3.59Å; Y140-L720 HydrophobicContact CE1-CB 4.47Å; Y140-L720 PolarHBondContact OH-O 3.48Å; A716-L720 WeakPolarHBondContact O-CG 3.24Å; A716-L720 PolarHBondContact O-N 2.88Å; I717-L720 PolarHBondContact O-N 3.32Å; L718-L720 VanDerWaalsContact C-N 3.33Å; L718-L720 PolarHBondContact O-N 3.45Å; L720-I723 HydrophobicContact CD2-CD1 4.41Å; L720-I723 PolarHBondContact O-N 3.18Å; L720-T724 WeakPolarHBondContact O-CB 3.48Å; L720-T724 PolarHBondContact O-N 3.22Å; L720-T724 PolarHBondContact O-OG1 2.91Å
721A91.6Very high89Confident38 Ų3856.2 Ų56.231%0.31428%0.281SS..Hα-helixtrans-64.1-39.8172.300000111.9Y140 I717 L718 T724 G725Y140-A721 HydrophobicContact CD1-CB 4.31Å; Y140-A721 HydrophobicContact CE1-CB 4.32Å; I717-A721 PolarHBondContact O-N 3.12Å; L718-A721 PolarHBondContact O-N 2.92Å; A721-T724 PolarHBondContact O-N 3Å; A721-G725 PolarHBondContact O-N 2.95Å
722I92.1Very high89.6Confident42 Ų4253.3 Ų53.322%0.21527%0.271CS..Hα-helixtrans-64.7-48.4174.8-68.9165.1000111L718 T719 T724 G725 C726 I771 F775L718-I722 HydrophobicContact CD1-CD1 4.13Å; L718-I722 HydrophobicContact CD1-CG1 4.39Å; L718-I722 HydrophobicContact CG-CD1 3.92Å; L718-I722 VanDerWaalsContact O-CG1 3.3Å; L718-I722 WeakPolarHBondContact O-CG1 3.28Å; L718-I722 PolarHBondContact O-N 2.87Å; T719-I722 PolarHBondContact O-N 3.21Å; I722-T724 VanDerWaalsContact C-N 3.28Å; I722-T724 PolarHBondContact O-N 3.21Å; I722-G725 PolarHBondContact O-N 2.81Å; I722-C726 WeakPolarHBondContact O-CB 3.42Å; I722-C726 PolarHBondContact O-N 3.37Å; I722-C726 PolarHBondContact O-SG 3.01Å; I722-C726 VanDerWaalsContact O-SG 3.39Å; I722-I771 HydrophobicContact CG2-CD1 4.4Å; I722-I771 HydrophobicContact CG2-CG1 4.38Å; I722-I771 HydrophobicContact CG2-CG2 3.95Å; I722-F775 HydrophobicContact CD1-CD1 3.79Å; I722-F775 HydrophobicContact CD1-CD2 4.24Å; I722-F775 HydrophobicContact CD1-CE1 3.6Å; I722-F775 HydrophobicContact CD1-CE2 4.06Å; I722-F775 HydrophobicContact CD1-CG 4.11Å; I722-F775 HydrophobicContact CD1-CZ 3.75Å; I722-F775 HydrophobicContact CG2-CE2 4.32Å
723I91.4Very high90.2Very high11 Ų1147.2 Ų47.26%0.05625%0.253CS..Hα-helixtrans-56.8-44.8176.3-67.4163.4000110.6L44 T719 L720 F727 I771 Y772L44-I723 HydrophobicContact CD2-CG2 4.5Å; T719-I723 HydrophobicContact CG2-CD1 4.03Å; T719-I723 VanDerWaalsContact O-CG1 3.29Å; T719-I723 WeakPolarHBondContact O-CG1 3.27Å; T719-I723 PolarHBondContact O-N 2.96Å; L720-I723 HydrophobicContact CD2-CD1 4.41Å; L720-I723 PolarHBondContact O-N 3.18Å; I723-F727 WeakPolarHBondContact O-CB 3.49Å; I723-F727 PolarHBondContact O-N 3.14Å; I723-I771 HydrophobicContact CD1-CG2 4.37Å; I723-I771 HydrophobicContact CG1-CB 4.42Å; I723-I771 HydrophobicContact CG1-CD1 4.38Å; I723-I771 HydrophobicContact CG1-CG2 3.65Å; I723-Y772 HydrophobicContact CD1-CD1 4.43Å; I723-Y772 HydrophobicContact CD1-CE1 3.65Å; I723-Y772 HydrophobicContact CD1-CE2 4.36Å
724T91.9Very high90.6Very high6 Ų644.8 Ų44.84%0.03724%0.241CC..Hα-helixtrans-62.6-46.1177.2-55.10000111.5I136 Y140 L720 A721 I722 F727 L728I136-T724 HydrophobicContact CG2-CG2 3.44Å; I136-T724 VanDerWaalsContact CG2-CG2 3.44Å; Y140-T724 HydrophobicContact CD2-CG2 4.32Å; Y140-T724 HydrophobicContact CE2-CG2 3.8Å; Y140-T724 VanDerWaalsContact CE2-OG1 3.32Å; Y140-T724 WeakPolarHBondContact CE2-OG1 3.27Å; Y140-T724 PolarHBondContact OH-OG1 3.04Å; Y140-T724 VanDerWaalsContact OH-OG1 3.1Å; L720-T724 WeakPolarHBondContact O-CB 3.48Å; L720-T724 PolarHBondContact O-N 3.22Å; L720-T724 PolarHBondContact O-OG1 2.91Å; A721-T724 PolarHBondContact O-N 3Å; I722-T724 VanDerWaalsContact C-N 3.28Å; I722-T724 PolarHBondContact O-N 3.21Å; T724-F727 PolarHBondContact O-N 3.35Å; T724-L728 HydrophobicContact CG2-CD1 4.11Å; T724-L728 WeakPolarHBondContact O-CG 3.23Å; T724-L728 PolarHBondContact O-N 2.84Å
725G92.8Very high91Very high28 Ų2839.6 Ų39.629%0.28922%0.222SC..Hα-helixtrans-62.6-46.1178.600000112.5A721 I722 F727 L728 L729A721-G725 PolarHBondContact O-N 2.95Å; I722-G725 PolarHBondContact O-N 2.81Å; G725-F727 PolarHBondContact O-N 3.01Å; G725-L728 PolarHBondContact O-N 2.87Å; G725-L729 WeakPolarHBondContact O-CB 3.45Å; G725-L729 VanDerWaalsContact O-CG 3.25Å; G725-L729 WeakPolarHBondContact O-CG 3.48Å; G725-L729 PolarHBondContact O-N 3.03Å
726C93.5Very high91.4Very high33 Ų3336.4 Ų36.422%0.22321%0.21CC..Hα-helixtrans-61.3-42.6175.1-69.70000112.2I722 L729 C730 L767 I771I722-C726 WeakPolarHBondContact O-CB 3.42Å; I722-C726 PolarHBondContact O-N 3.37Å; I722-C726 PolarHBondContact O-SG 3.01Å; I722-C726 VanDerWaalsContact O-SG 3.39Å; C726-L729 PolarHBondContact O-N 2.95Å; C726-C730 WeakPolarHBondContact O-CB 3.12Å; C726-C730 PolarHBondContact O-N 3.4Å; C726-L767 HydrophobicContact CB-CD1 3.95Å; C726-I771 HydrophobicContact CB-CD1 3.87Å
727F91.1Very high91.6Very high4 Ų436.3 Ų36.32%0.01821%0.206CC..Hα-helixtrans-57.3-52.4174.1178.8-81.4000111.1S40 I41 L44 I723 T724 G725 L729 C730 W731 N764S40-F727 WeakPolarHBondContact OG-CE2 3.38Å; I41-F727 HydrophobicContact CD1-CE1 3.94Å; I41-F727 HydrophobicContact CD1-CZ 3.99Å; I41-F727 HydrophobicContact CG1-CE1 3.38Å; I41-F727 HydrophobicContact CG1-CZ 3.44Å; I41-F727 VanDerWaalsContact CG1-CZ 3.44Å; L44-F727 HydrophobicContact CD1-CB 3.88Å; L44-F727 HydrophobicContact CD1-CD1 3.71Å; L44-F727 HydrophobicContact CD1-CD2 4.05Å; L44-F727 HydrophobicContact CD1-CE1 4.37Å; L44-F727 HydrophobicContact CD1-CG 3.56Å; I723-F727 WeakPolarHBondContact O-CB 3.49Å; I723-F727 PolarHBondContact O-N 3.14Å; T724-F727 PolarHBondContact O-N 3.35Å; G725-F727 PolarHBondContact O-N 3.01Å; F727-L729 PolarHBondContact O-N 3.46Å; F727-C730 PolarHBondContact O-N 3.32Å; F727-W731 AromaticContact CD2-CD1 3.79Å; F727-W731 HydrophobicContact CE1-CB 4.37Å; F727-W731 AromaticContact CE1-CD1 3.68Å; F727-W731 HydrophobicContact CE1-CG 4.17Å; F727-W731 AromaticContact CE2-CD1 3.38Å; F727-W731 HydrophobicContact CE2-CG 4.41Å; F727-W731 AromaticContact CE2-NE1 3.41Å; F727-W731 AromaticContact CZ-CD1 3.3Å; F727-W731 AromaticContact CZ-CG 3.96Å; F727-W731 HydrophobicContact CZ-CG 3.96Å; F727-W731 AromaticContact CZ-NE1 3.65Å; F727-W731 PolarHBondContact O-N 2.99Å; F727-W731 VanDerWaalsContact O-N 3.11Å; F727-N764 WeakPolarHBondContact CA-OD1 3.31Å
728L93Very high91.6Very high20 Ų2036 Ų3611%0.10521%0.208CC..Hα-helixtrans-63.6-42.6-177.7-68.5173.5000111.7F129 M133 I137 T724 G725 W731 L732F129-L728 HydrophobicContact CE2-CD2 3.85Å; F129-L728 HydrophobicContact CZ-CD2 3.98Å; M133-L728 HydrophobicContact CB-CD2 3.85Å; M133-L728 HydrophobicContact CG-CD1 3.93Å; M133-L728 HydrophobicContact CG-CD2 3.67Å; M133-L728 HydrophobicContact CG-CG 4.4Å; M133-L728 HydrophobicContact SD-CD1 4.48Å; M133-L728 HydrophobicContact SD-CD2 3.97Å; I137-L728 HydrophobicContact CD1-CD1 4.46Å; I137-L728 HydrophobicContact CG1-CD1 4.39Å; T724-L728 HydrophobicContact CG2-CD1 4.11Å; T724-L728 WeakPolarHBondContact O-CG 3.23Å; T724-L728 PolarHBondContact O-N 2.84Å; G725-L728 PolarHBondContact O-N 2.87Å; L728-W731 PolarHBondContact O-N 3.18Å; L728-L732 WeakPolarHBondContact O-CB 3.4Å; L728-L732 PolarHBondContact O-N 3.12Å
729L93.5Very high91.6Very high122 Ų12233.3 Ų33.364%0.63919%0.194SC*.Hα-helixtrans-66-36.4179.2-71.7169.1000113.2G725 C726 F727 P733G725-L729 WeakPolarHBondContact O-CB 3.45Å; G725-L729 VanDerWaalsContact O-CG 3.25Å; G725-L729 WeakPolarHBondContact O-CG 3.48Å; G725-L729 PolarHBondContact O-N 3.03Å; C726-L729 PolarHBondContact O-N 2.95Å; F727-L729 PolarHBondContact O-N 3.46Å; L729-P733 WeakPolarHBondContact O-CD 3.31Å
730C93.6Very high91.6Very high8 Ų835.9 Ų35.95%0.05421%0.207CC..Hα-helixtrans-67.6-41.9174.6-82.80000112.5C726 F727 L760 G761 N764C726-C730 WeakPolarHBondContact O-CB 3.12Å; C726-C730 PolarHBondContact O-N 3.4Å; F727-C730 PolarHBondContact O-N 3.32Å; C730-L760 VanDerWaalsContact CB-O 3.28Å; C730-L760 WeakPolarHBondContact CB-O 3.29Å; C730-L760 PolarHBondContact SG-O 3.41Å; C730-L760 VanDerWaalsContact SG-O 3.32Å; C730-G761 WeakPolarHBondContact O-CA 3.43Å; C730-G761 PolarHBondContact O-N 3.25Å; C730-N764 HydrophobicContact CB-CB 3.84Å
731W91.7Very high91.4Very high3 Ų336.7 Ų36.71%0.01122%0.215CC..Hα-helixtrans-87.9-26.5-174.2-79.2102.9000114.5C37 F129 F727 L728 F734 F735 G761 Y762C37-W731 WeakPolarHBondContact SG-CH2 3.39Å; C37-W731 VanDerWaalsContact SG-CZ2 3.58Å; F129-W731 HydrophobicContact CD2-CB 4.49Å; F129-W731 HydrophobicContact CE2-CB 3.82Å; F727-W731 AromaticContact CD2-CD1 3.79Å; F727-W731 HydrophobicContact CE1-CB 4.37Å; F727-W731 AromaticContact CE1-CD1 3.68Å; F727-W731 HydrophobicContact CE1-CG 4.17Å; F727-W731 AromaticContact CE2-CD1 3.38Å; F727-W731 HydrophobicContact CE2-CG 4.41Å; F727-W731 AromaticContact CE2-NE1 3.41Å; F727-W731 AromaticContact CZ-CD1 3.3Å; F727-W731 AromaticContact CZ-CG 3.96Å; F727-W731 HydrophobicContact CZ-CG 3.96Å; F727-W731 AromaticContact CZ-NE1 3.65Å; F727-W731 PolarHBondContact O-N 2.99Å; F727-W731 VanDerWaalsContact O-N 3.11Å; L728-W731 PolarHBondContact O-N 3.18Å; W731-F734 HydrophobicContact CE3-CB 4.38Å; W731-F734 HydrophobicContact CE3-CD1 4.12Å; W731-F734 HydrophobicContact CE3-CG 4.43Å; W731-F734 HydrophobicContact CZ3-CD1 4.07Å; W731-F734 HydrophobicContact CZ3-CE1 4.47Å; W731-F734 HydrophobicContact CZ3-CG 4.4Å; W731-F734 WeakPolarHBondContact O-CB 3.25Å; W731-F734 PolarHBondContact O-N 2.87Å; W731-F734 VanDerWaalsContact O-N 3.09Å; W731-F735 HydrophobicContact CB-CD2 3.99Å; W731-F735 HydrophobicContact CB-CE2 3.98Å; W731-F735 HydrophobicContact CD2-CE2 4.18Å; W731-F735 HydrophobicContact CE3-CD2 4.34Å; W731-F735 AromaticContact CE3-CE2 3.7Å; W731-F735 HydrophobicContact CE3-CE2 3.7Å; W731-F735 HydrophobicContact CE3-CZ 4.46Å; W731-F735 HydrophobicContact CG-CE2 4.32Å; W731-F735 WeakPolarHBondContact O-CD2 3.29Å; W731-F735 PolarHBondContact O-N 2.87Å; W731-F735 VanDerWaalsContact O-N 3.12Å; W731-G761 PolarHBondContact NE1-O 2.54Å; W731-Y762 HydrophobicContact CH2-CD1 4.09Å; W731-Y762 HydrophobicContact CH2-CE1 4.04Å; W731-Y762 HydrophobicContact CZ2-CD1 4.32Å
732L93.5Very high90.9Very high54 Ų5435.6 Ų35.628%0.28321%0.205SC..Hα-helixtrans-53.5-44-176175.166.8000113.7F129 L728 F734 F735 I736F129-L732 HydrophobicContact CE1-CB 4.41Å; F129-L732 HydrophobicContact CE1-CD1 3.81Å; F129-L732 HydrophobicContact CZ-CB 4.04Å; F129-L732 HydrophobicContact CZ-CD1 4.26Å; L728-L732 WeakPolarHBondContact O-CB 3.4Å; L728-L732 PolarHBondContact O-N 3.12Å; L732-F734 VanDerWaalsContact C-N 3.32Å; L732-F734 PolarHBondContact O-N 3.49Å; L732-F735 PolarHBondContact O-N 3.37Å; L732-I736 HydrophobicContact CD1-CD1 3.73Å; L732-I736 HydrophobicContact CD1-CG1 3.9Å; L732-I736 HydrophobicContact CD2-CD1 4.38Å; L732-I736 HydrophobicContact CG-CD1 3.69Å; L732-I736 HydrophobicContact CG-CG1 4.28Å; L732-I736 WeakPolarHBondContact O-CB 3.4Å; L732-I736 VanDerWaalsContact O-CG1 3.25Å; L732-I736 WeakPolarHBondContact O-CG1 3.46Å; L732-I736 PolarHBondContact O-N 2.99Å
733P93.7Very high90.7Very high40 Ų4038.7 Ų38.726%0.2622%0.217SC..Hα-helixtrans-63-35.7178.5-25.838.4000113.4L729 V737 I757 L760L729-P733 WeakPolarHBondContact O-CD 3.31Å; P733-V737 PolarHBondContact O-N 3.3Å; P733-V737 VanDerWaalsContact O-N 3.09Å; P733-I757 HydrophobicContact CB-CG1 4.49Å; P733-I757 HydrophobicContact CB-CG2 4.24Å; P733-L760 HydrophobicContact CG-CD2 3.9Å
734F90.7Very high90.4Very high60 Ų6042 Ų4226%0.26323%0.234SC..Hα-helixtrans-67.2-48.8176.2179-93.3000111.2W731 L732 I736 V737 A738 I757 L758W731-F734 HydrophobicContact CE3-CB 4.38Å; W731-F734 HydrophobicContact CE3-CD1 4.12Å; W731-F734 HydrophobicContact CE3-CG 4.43Å; W731-F734 HydrophobicContact CZ3-CD1 4.07Å; W731-F734 HydrophobicContact CZ3-CE1 4.47Å; W731-F734 HydrophobicContact CZ3-CG 4.4Å; W731-F734 WeakPolarHBondContact O-CB 3.25Å; W731-F734 PolarHBondContact O-N 2.87Å; W731-F734 VanDerWaalsContact O-N 3.09Å; L732-F734 VanDerWaalsContact C-N 3.32Å; L732-F734 PolarHBondContact O-N 3.49Å; F734-I736 VanDerWaalsContact C-N 3.32Å; F734-I736 PolarHBondContact O-N 3.09Å; F734-V737 PolarHBondContact O-N 2.99Å; F734-A738 VanDerWaalsContact O-CB 3.28Å; F734-A738 WeakPolarHBondContact O-CB 3.43Å; F734-A738 PolarHBondContact O-N 2.9Å; F734-I757 VanDerWaalsContact CA-CG2 3.44Å; F734-I757 HydrophobicContact CB-CG2 3.85Å; F734-I757 HydrophobicContact CD2-CG2 4.32Å; F734-L758 HydrophobicContact CD2-CD1 4.39Å; F734-L758 HydrophobicContact CE2-CD1 4.09Å
735F90.9Very high89.4Confident15 Ų1548.8 Ų48.87%0.06627%0.27CS..Hα-helixtrans-67.5-30178.2-74.2-75.6000113.1N125 F129 Y130 W731 L732 L739N125-F735 WeakPolarHBondContact OD1-CD1 3.36Å; F129-F735 HydrophobicContact CB-CB 4.24Å; F129-F735 HydrophobicContact CB-CD1 3.52Å; F129-F735 HydrophobicContact CB-CD2 3.81Å; F129-F735 HydrophobicContact CB-CE1 3.74Å; F129-F735 HydrophobicContact CB-CE2 4.01Å; F129-F735 HydrophobicContact CB-CG 3.56Å; F129-F735 HydrophobicContact CB-CZ 3.99Å; F129-F735 HydrophobicContact CD1-CB 3.67Å; F129-F735 AromaticContact CD1-CD2 3.98Å; F129-F735 HydrophobicContact CD1-CD2 3.98Å; F129-F735 AromaticContact CD1-CG 3.82Å; F129-F735 HydrophobicContact CD1-CG 3.82Å; F129-F735 AromaticContact CD2-CD2 3.24Å; F129-F735 HydrophobicContact CD2-CD2 3.24Å; F129-F735 AromaticContact CD2-CE2 3.46Å; F129-F735 HydrophobicContact CD2-CE2 3.46Å; F129-F735 VanDerWaalsContact CD2-CE2 3.46Å; F129-F735 AromaticContact CD2-CG 3.86Å; F129-F735 HydrophobicContact CD2-CG 3.86Å; F129-F735 HydrophobicContact CD2-CZ 4.23Å; F129-F735 HydrophobicContact CE1-CB 4.12Å; F129-F735 HydrophobicContact CE1-CD2 4.38Å; F129-F735 HydrophobicContact CE1-CG 4.47Å; F129-F735 AromaticContact CE2-CD2 3.72Å; F129-F735 HydrophobicContact CE2-CD2 3.72Å; F129-F735 HydrophobicContact CE2-CE2 4.14Å; F129-F735 HydrophobicContact CG-CB 3.9Å; F129-F735 AromaticContact CG-CD1 3.99Å; F129-F735 HydrophobicContact CG-CD1 3.99Å; F129-F735 AromaticContact CG-CD2 3.4Å; F129-F735 HydrophobicContact CG-CD2 3.4Å; F129-F735 HydrophobicContact CG-CE1 4.42Å; F129-F735 AromaticContact CG-CE2 3.89Å; F129-F735 HydrophobicContact CG-CE2 3.89Å; F129-F735 AromaticContact CG-CG 3.47Å; F129-F735 HydrophobicContact CG-CG 3.47Å; F129-F735 VanDerWaalsContact CG-CG 3.47Å; F129-F735 HydrophobicContact CG-CZ 4.38Å; F129-F735 HydrophobicContact CZ-CD2 4.26Å; Y130-F735 HydrophobicContact CE2-CB 4.13Å; Y130-F735 VanDerWaalsContact OH-C 3.32Å; Y130-F735 PolarHBondContact OH-O 3.19Å; W731-F735 HydrophobicContact CB-CD2 3.99Å; W731-F735 HydrophobicContact CB-CE2 3.98Å; W731-F735 HydrophobicContact CD2-CE2 4.18Å; W731-F735 HydrophobicContact CE3-CD2 4.34Å; W731-F735 AromaticContact CE3-CE2 3.7Å; W731-F735 HydrophobicContact CE3-CE2 3.7Å; W731-F735 HydrophobicContact CE3-CZ 4.46Å; W731-F735 HydrophobicContact CG-CE2 4.32Å; W731-F735 WeakPolarHBondContact O-CD2 3.29Å; W731-F735 PolarHBondContact O-N 2.87Å; W731-F735 VanDerWaalsContact O-N 3.12Å; L732-F735 PolarHBondContact O-N 3.37Å; F735-L739 WeakPolarHBondContact O-CB 3.39Å; F735-L739 PolarHBondContact O-N 3.22Å
736I92.7Very high88.5Confident67 Ų6754.3 Ų54.334%0.34429%0.293SS..Hα-helixtrans-62.7-50.8170.4-74.3171.6000110.6Y130 L732 F734 L739 I740Y130-I736 WeakPolarHBondContact OH-CA 3.15Å; Y130-I736 WeakPolarHBondContact OH-CG1 3.29Å; Y130-I736 PolarHBondContact OH-N 3.23Å; L732-I736 HydrophobicContact CD1-CD1 3.73Å; L732-I736 HydrophobicContact CD1-CG1 3.9Å; L732-I736 HydrophobicContact CD2-CD1 4.38Å; L732-I736 HydrophobicContact CG-CD1 3.69Å; L732-I736 HydrophobicContact CG-CG1 4.28Å; L732-I736 WeakPolarHBondContact O-CB 3.4Å; L732-I736 VanDerWaalsContact O-CG1 3.25Å; L732-I736 WeakPolarHBondContact O-CG1 3.46Å; L732-I736 PolarHBondContact O-N 2.99Å; F734-I736 VanDerWaalsContact C-N 3.32Å; F734-I736 PolarHBondContact O-N 3.09Å; I736-L739 PolarHBondContact O-N 2.98Å; I736-I740 HydrophobicContact CG2-CD1 3.74Å; I736-I740 WeakPolarHBondContact O-CB 3.47Å; I736-I740 VanDerWaalsContact O-CG1 3.28Å; I736-I740 WeakPolarHBondContact O-CG1 3.06Å; I736-I740 PolarHBondContact O-N 3.01Å
737V89.9Confident87.8Confident39 Ų3956 Ų5624%0.23630%0.299CS..Hα-helixtrans-67-42.3179.7167.80000111.5P733 F734 L739 I740 S741 I749 I757P733-V737 PolarHBondContact O-N 3.3Å; P733-V737 VanDerWaalsContact O-N 3.09Å; F734-V737 PolarHBondContact O-N 2.99Å; V737-L739 VanDerWaalsContact C-N 3.28Å; V737-L739 PolarHBondContact O-N 3.09Å; V737-I740 PolarHBondContact O-N 2.72Å; V737-S741 WeakPolarHBondContact O-CB 3.29Å; V737-S741 PolarHBondContact O-N 3.44Å; V737-I749 HydrophobicContact CB-CD1 4.24Å; V737-I749 HydrophobicContact CG1-CD1 3.46Å; V737-I749 VanDerWaalsContact CG1-CD1 3.46Å; V737-I749 HydrophobicContact CG2-CD1 3.67Å; V737-I757 HydrophobicContact CG2-CD1 3.81Å
738A86.8Confident87.1Confident28 Ų2863.1 Ų63.123%0.23134%0.337CS..Hα-helixtrans-63.1-32.7177.500000112.8T121 N125 F734T121-A738 WeakPolarHBondContact CG2-O 3.42Å; N125-A738 WeakPolarHBondContact OD1-CB 3.25Å; F734-A738 VanDerWaalsContact O-CB 3.28Å; F734-A738 WeakPolarHBondContact O-CB 3.43Å; F734-A738 PolarHBondContact O-N 2.9Å
739L90.1Very high86.5Confident41 Ų4164.1 Ų64.122%0.21534%0.343CS..Hα-helixtrans-77.1-39.2174.2-17963.4000112.7V122 N125 Y130 F735 I736 V737 F743V122-L739 HydrophobicContact CG2-CD1 4.26Å; N125-L739 HydrophobicContact CB-CB 4.3Å; N125-L739 HydrophobicContact CB-CD1 4.08Å; Y130-L739 HydrophobicContact CD2-CD2 4.45Å; Y130-L739 HydrophobicContact CE2-CB 4.39Å; Y130-L739 HydrophobicContact CE2-CD2 3.78Å; F735-L739 WeakPolarHBondContact O-CB 3.39Å; F735-L739 PolarHBondContact O-N 3.22Å; I736-L739 PolarHBondContact O-N 2.98Å; V737-L739 VanDerWaalsContact C-N 3.28Å; V737-L739 PolarHBondContact O-N 3.09Å; L739-F743 WeakPolarHBondContact O-CD2 3.33Å; L739-F743 WeakPolarHBondContact O-CE2 3.37Å
740I89.7Confident86.2Confident66 Ų6662.9 Ų62.934%0.33834%0.34SS..Hα-helixtrans-87.2-31-172.3-66.3176.3000113I736 V737 P742 F743 I744 L747I736-I740 HydrophobicContact CG2-CD1 3.74Å; I736-I740 WeakPolarHBondContact O-CB 3.47Å; I736-I740 VanDerWaalsContact O-CG1 3.28Å; I736-I740 WeakPolarHBondContact O-CG1 3.06Å; I736-I740 PolarHBondContact O-N 3.01Å; V737-I740 PolarHBondContact O-N 2.72Å; I740-P742 VanDerWaalsContact C-CD 3.48Å; I740-F743 PolarHBondContact O-N 3.46Å; I740-I744 HydrophobicContact CG2-CD1 3.38Å; I740-I744 HydrophobicContact CG2-CG1 3.79Å; I740-I744 PolarHBondContact O-N 3Å; I740-L747 HydrophobicContact CG2-CD2 4.2Å
741S84.4Confident85.7Confident46 Ų4668.5 Ų68.532%0.32236%0.364SS..G310 helixtrans-48.7-45.3-177.8174.70000115.1V737 F743V737-S741 WeakPolarHBondContact O-CB 3.29Å; V737-S741 PolarHBondContact O-N 3.44Å; S741-F743 PolarHBondContact O-N 3.48Å
742P82.9Confident85.5Confident14 Ų1475.1 Ų75.19%0.09139%0.393CS..G310 helixtrans-75.3-3.6178.534-40.9000114.2Q116 H118 T121 I740Q116-P742 WeakPolarHBondContact O-CB 3.44Å; H118-P742 PolarHBondContact CE1-O 2.85Å; H118-P742 PolarHBondContact ND1-O 2.93Å; T121-P742 HydrophobicContact CG2-CG 3.84Å; I740-P742 VanDerWaalsContact C-CD 3.48Å
743F86.2Confident85.2Confident108 Ų10873.3 Ų73.347%0.47439%0.387SS..G310 helixtrans-107.2-11.9178.8-63.8-70.5000114H118 V122 L739 I740 S741H118-F743 HydrophobicContact CB-CE1 4.11Å; H118-F743 HydrophobicContact CB-CZ 4.18Å; H118-F743 AromaticContact ND1-CE1 3.97Å; V122-F743 HydrophobicContact CG2-CE2 3.76Å; V122-F743 HydrophobicContact CG2-CZ 3.52Å; L739-F743 WeakPolarHBondContact O-CD2 3.33Å; L739-F743 WeakPolarHBondContact O-CE2 3.37Å; I740-F743 PolarHBondContact O-N 3.46Å; S741-F743 PolarHBondContact O-N 3.48Å
744I86.8Confident84.8Confident80 Ų8076.9 Ų76.941%0.4140%0.4SS..  trans-123.489.9-179.9-54.7-174.8000109I740 N746 L747I740-I744 HydrophobicContact CG2-CD1 3.38Å; I740-I744 HydrophobicContact CG2-CG1 3.79Å; I740-I744 PolarHBondContact O-N 3Å; I744-N746 PolarHBondContact O-N 3.26Å; I744-L747 HydrophobicContact CB-CB 3.98Å; I744-L747 HydrophobicContact CG2-CB 3.85Å; I744-L747 HydrophobicContact CG2-CD1 4.36Å; I744-L747 WeakPolarHBondContact O-CB 3.26Å; I744-L747 PolarHBondContact O-N 2.87Å
745N70.9Confident84.7Confident149 Ų14974.2 Ų74.280%0.79739%0.39SS*.THydrogen-bonded Turntrans-56.3-20.5-175.1-58.17.9000114.2
746N73.5Confident84.8Confident143 Ų14377.7 Ų77.777%0.76541%0.407SS*.THydrogen-bonded Turntrans-111.321.8-179-64.9-26.5000113.4I744 N748I744-N746 PolarHBondContact O-N 3.26Å; N746-N748 VanDerWaalsContact C-N 3.27Å; N746-N748 PolarHBondContact O-N 3.11Å
747L77.7Confident84.7Confident68 Ų6876.2 Ų76.236%0.35640%0.399SS..  trans-78.171.7-177.8-166.468.3000112.3I740 I744 I749I740-L747 HydrophobicContact CG2-CD2 4.2Å; I744-L747 HydrophobicContact CB-CB 3.98Å; I744-L747 HydrophobicContact CG2-CB 3.85Å; I744-L747 HydrophobicContact CG2-CD1 4.36Å; I744-L747 WeakPolarHBondContact O-CB 3.26Å; I744-L747 PolarHBondContact O-N 2.87Å; L747-I749 VanDerWaalsContact C-N 3.26Å; L747-I749 HydrophobicContact CD2-CD1 4.12Å; L747-I749 HydrophobicContact CD2-CG1 4.41Å; L747-I749 HydrophobicContact CG-CD1 4.31Å; L747-I749 HydrophobicContact CG-CG1 4.05Å; L747-I749 PolarHBondContact O-N 2.88Å
748N77.1Confident84.7Confident154 Ų15475.6 Ų75.682%0.82440%0.395SS*.  trans-7273180-75.1-9.2000112.7N746 T750N746-N748 VanDerWaalsContact C-N 3.27Å; N746-N748 PolarHBondContact O-N 3.11Å; N748-T750 PolarHBondContact O-N 3.28Å
749I80.8Confident84.9Confident42 Ų4278.6 Ų78.622%0.21540%0.4CS..  trans-72.7119.7164.6-49.8177.9000107.7V737 L747 Q754V737-I749 HydrophobicContact CB-CD1 4.24Å; V737-I749 HydrophobicContact CG1-CD1 3.46Å; V737-I749 VanDerWaalsContact CG1-CD1 3.46Å; V737-I749 HydrophobicContact CG2-CD1 3.67Å; L747-I749 VanDerWaalsContact C-N 3.26Å; L747-I749 HydrophobicContact CD2-CD1 4.12Å; L747-I749 HydrophobicContact CD2-CG1 4.41Å; L747-I749 HydrophobicContact CG-CD1 4.31Å; L747-I749 HydrophobicContact CG-CG1 4.05Å; L747-I749 PolarHBondContact O-N 2.88Å; I749-Q754 HydrophobicContact CB-CG 3.93Å; I749-Q754 HydrophobicContact CG2-CG 3.66Å; I749-Q754 PolarHBondContact O-NE2 2.82Å
750T87Confident85Confident96 Ų9680.2 Ų80.259%0.58941%0.409SS*.  trans-56.9154.6176.961.10000111.7N748 F752 G753 Q754N748-T750 PolarHBondContact O-N 3.28Å; T750-F752 PolarHBondContact O-N 3.15Å; T750-G753 WeakPolarHBondContact O-CA 3.26Å; T750-G753 PolarHBondContact O-N 2.87Å; T750-G753 PolarHBondContact OG1-N 2.87Å; T750-G753 VanDerWaalsContact OG1-N 3.12Å; T750-Q754 PolarHBondContact O-N 3.19Å
751K82.4Confident85.1Confident126 Ų12677.1 Ų77.155%0.54839%0.393SS..Hα-helixtrans-47.2-48.1174.5-71.1-163-180-167.10111E17 G753 Q754 S755E17-K751 IonicContact OE2-NZ 2.87Å; E17-K751 PolarHBondContact OE2-NZ 2.91Å; K751-G753 PolarHBondContact O-N 3.04Å; K751-Q754 PolarHBondContact O-N 3.08Å; K751-S755 WeakPolarHBondContact O-CB 3.3Å; K751-S755 PolarHBondContact O-N 2.93Å
752F87.1Confident85.3Confident141 Ų14175.1 Ų75.162%0.61838%0.378SS*.Hα-helixtrans-56.9-43.8174.4-176.9-98.5000113.7T750 S755 M756T750-F752 PolarHBondContact O-N 3.15Å; F752-S755 WeakPolarHBondContact O-CB 3.37Å; F752-S755 PolarHBondContact O-N 3.39Å; F752-M756 HydrophobicContact CD1-CG 4Å; F752-M756 HydrophobicContact CD2-CE 4.24Å; F752-M756 HydrophobicContact CD2-CG 4.47Å; F752-M756 HydrophobicContact CE1-CG 3.58Å; F752-M756 HydrophobicContact CE1-SD 4.3Å; F752-M756 HydrophobicContact CE2-CE 3.76Å; F752-M756 HydrophobicContact CE2-CG 4.1Å; F752-M756 HydrophobicContact CE2-SD 4.02Å; F752-M756 HydrophobicContact CG-CG 4.43Å; F752-M756 HydrophobicContact CZ-CE 4.12Å; F752-M756 HydrophobicContact CZ-CG 3.63Å; F752-M756 HydrophobicContact CZ-SD 3.73Å; F752-M756 VanDerWaalsContact O-CG 3.29Å; F752-M756 WeakPolarHBondContact O-CG 3.23Å; F752-M756 PolarHBondContact O-N 3.4Å
753G88.7Confident85.7Confident17 Ų1776.9 Ų76.918%0.17539%0.391CS..Hα-helixtrans-63.4-40.7177.200000113.2T750 K751 I757T750-G753 WeakPolarHBondContact O-CA 3.26Å; T750-G753 PolarHBondContact O-N 2.87Å; T750-G753 PolarHBondContact OG1-N 2.87Å; T750-G753 VanDerWaalsContact OG1-N 3.12Å; K751-G753 PolarHBondContact O-N 3.04Å; G753-I757 WeakPolarHBondContact O-CD1 3.48Å; G753-I757 VanDerWaalsContact O-CG1 3.28Å; G753-I757 WeakPolarHBondContact O-CG1 3.49Å; G753-I757 PolarHBondContact O-N 3.31Å
754Q84.4Confident85.9Confident114 Ų11472.2 Ų72.253%0.53337%0.371SS..Hα-helixtrans-65.6-45.8175.8-59.6-177.424.800110.8I749 T750 K751 I757 L758I749-Q754 HydrophobicContact CB-CG 3.93Å; I749-Q754 HydrophobicContact CG2-CG 3.66Å; I749-Q754 PolarHBondContact O-NE2 2.82Å; T750-Q754 PolarHBondContact O-N 3.19Å; K751-Q754 PolarHBondContact O-N 3.08Å; Q754-I757 PolarHBondContact O-N 3.38Å; Q754-L758 PolarHBondContact O-N 3.41Å
755S89Confident85.9Confident5 Ų570.3 Ų70.34%0.03536%0.364CS..Hα-helixtrans-55.9-51.6174.4177.30000112.5E14 K751 F752 I757 L758 W759E14-S755 VanDerWaalsContact CD-OG 3.25Å; E14-S755 WeakPolarHBondContact OE1-CB 3.06Å; E14-S755 PolarHBondContact OE1-OG 2.95Å; K751-S755 WeakPolarHBondContact O-CB 3.3Å; K751-S755 PolarHBondContact O-N 2.93Å; F752-S755 WeakPolarHBondContact O-CB 3.37Å; F752-S755 PolarHBondContact O-N 3.39Å; S755-I757 VanDerWaalsContact C-N 3.27Å; S755-I757 PolarHBondContact O-N 3.25Å; S755-L758 PolarHBondContact O-N 2.64Å; S755-L758 VanDerWaalsContact O-N 3.14Å; S755-W759 PolarHBondContact O-N 2.03Å
756M91.9Very high86.8Confident88 Ų8868.8 Ų68.843%0.43336%0.356SS..Hα-helixtrans-59.4-36.6178.9-70.5-5698.400112.8F752 L760F752-M756 HydrophobicContact CD1-CG 4Å; F752-M756 HydrophobicContact CD2-CE 4.24Å; F752-M756 HydrophobicContact CD2-CG 4.47Å; F752-M756 HydrophobicContact CE1-CG 3.58Å; F752-M756 HydrophobicContact CE1-SD 4.3Å; F752-M756 HydrophobicContact CE2-CE 3.76Å; F752-M756 HydrophobicContact CE2-CG 4.1Å; F752-M756 HydrophobicContact CE2-SD 4.02Å; F752-M756 HydrophobicContact CG-CG 4.43Å; F752-M756 HydrophobicContact CZ-CE 4.12Å; F752-M756 HydrophobicContact CZ-CG 3.63Å; F752-M756 HydrophobicContact CZ-SD 3.73Å; F752-M756 VanDerWaalsContact O-CG 3.29Å; F752-M756 WeakPolarHBondContact O-CG 3.23Å; F752-M756 PolarHBondContact O-N 3.4Å; M756-L760 WeakPolarHBondContact O-CB 3.34Å; M756-L760 PolarHBondContact O-N 3.05Å
757I92.4Very high87.7Confident35 Ų3564.6 Ų64.618%0.17933%0.333CS..Hα-helixtrans-69.5-41.8177.3-70.9171.3000111.3P733 F734 V737 G753 Q754 S755 L760 G761P733-I757 HydrophobicContact CB-CG1 4.49Å; P733-I757 HydrophobicContact CB-CG2 4.24Å; F734-I757 VanDerWaalsContact CA-CG2 3.44Å; F734-I757 HydrophobicContact CB-CG2 3.85Å; F734-I757 HydrophobicContact CD2-CG2 4.32Å; V737-I757 HydrophobicContact CG2-CD1 3.81Å; G753-I757 WeakPolarHBondContact O-CD1 3.48Å; G753-I757 VanDerWaalsContact O-CG1 3.28Å; G753-I757 WeakPolarHBondContact O-CG1 3.49Å; G753-I757 PolarHBondContact O-N 3.31Å; Q754-I757 PolarHBondContact O-N 3.38Å; S755-I757 VanDerWaalsContact C-N 3.27Å; S755-I757 PolarHBondContact O-N 3.25Å; I757-L760 PolarHBondContact O-N 3.13Å; I757-G761 PolarHBondContact O-N 3.02Å
758L88.7Confident88Confident27 Ų2763.3 Ų63.314%0.14133%0.326CS..Hα-helixtrans-64.7-49.4176.4-176.763.6000111.7A10 F734 Q754 S755 L760 G761 Y762A10-L758 HydrophobicContact CB-CD2 4.27Å; F734-L758 HydrophobicContact CD2-CD1 4.39Å; F734-L758 HydrophobicContact CE2-CD1 4.09Å; Q754-L758 PolarHBondContact O-N 3.41Å; S755-L758 PolarHBondContact O-N 2.64Å; S755-L758 VanDerWaalsContact O-N 3.14Å; L758-L760 VanDerWaalsContact C-N 3.29Å; L758-L760 PolarHBondContact O-N 3.35Å; L758-G761 PolarHBondContact O-N 3.47Å; L758-G761 VanDerWaalsContact O-N 3.15Å; L758-Y762 HydrophobicContact CD1-CD2 4.46Å; L758-Y762 HydrophobicContact CD1-CE1 4.33Å; L758-Y762 HydrophobicContact CD1-CE2 3.8Å; L758-Y762 HydrophobicContact CD2-CE2 4.14Å; L758-Y762 HydrophobicContact CG-CD2 4.14Å; L758-Y762 HydrophobicContact CG-CE2 3.7Å; L758-Y762 PolarHBondContact O-N 3.3Å
759W90.7Very high88.5Confident91 Ų9159.5 Ų59.535%0.34531%0.31SS..Hα-helixtrans-66-28.6178.5-75.6108.7000113.2A11 S755 Y762 S763A11-W759 HydrophobicContact CB-CH2 4.14Å; A11-W759 HydrophobicContact CB-CZ2 4.23Å; S755-W759 PolarHBondContact O-N 2.03Å; W759-Y762 HydrophobicContact CE3-CD2 4.3Å; W759-Y762 PolarHBondContact O-N 2.86Å; W759-S763 WeakPolarHBondContact O-CB 3.38Å; W759-S763 PolarHBondContact O-N 3.04Å; W759-S763 PolarHBondContact O-OG 3.34Å
760L92.9Very high88.9Confident75 Ų7561 Ų6139%0.39332%0.318SS..Hα-helixtrans-66-41.8171.1178.759.1000112C730 P733 M756 I757 L758 S763C730-L760 VanDerWaalsContact CB-O 3.28Å; C730-L760 WeakPolarHBondContact CB-O 3.29Å; C730-L760 PolarHBondContact SG-O 3.41Å; C730-L760 VanDerWaalsContact SG-O 3.32Å; P733-L760 HydrophobicContact CG-CD2 3.9Å; M756-L760 WeakPolarHBondContact O-CB 3.34Å; M756-L760 PolarHBondContact O-N 3.05Å; I757-L760 PolarHBondContact O-N 3.13Å; L758-L760 VanDerWaalsContact C-N 3.29Å; L758-L760 PolarHBondContact O-N 3.35Å; L760-S763 WeakPolarHBondContact O-CB 2.99Å; L760-S763 PolarHBondContact O-N 2.85Å
761G90.9Very high89.2Confident0 Ų057 Ų570%029%0.292CS..Hα-helixtrans-60.5-47.4171.800000112C730 W731 I757 L758 S763 N764C730-G761 WeakPolarHBondContact O-CA 3.43Å; C730-G761 PolarHBondContact O-N 3.25Å; W731-G761 PolarHBondContact NE1-O 2.54Å; I757-G761 PolarHBondContact O-N 3.02Å; L758-G761 PolarHBondContact O-N 3.47Å; L758-G761 VanDerWaalsContact O-N 3.15Å; G761-S763 VanDerWaalsContact C-N 3.33Å; G761-S763 PolarHBondContact O-N 3.13Å; G761-N764 WeakPolarHBondContact O-CB 3.24Å; G761-N764 PolarHBondContact O-N 3.43Å
762Y90.2Very high89.4Confident4 Ų454.9 Ų54.92%0.01628%0.282CS..Hα-helixtrans-64-32.8176.8-70.5-18.8000113.8V2 M7 A10 D33 W731 L758 W759 N764 S765V2-Y762 HydrophobicContact CG1-CD1 3.72Å; V2-Y762 HydrophobicContact CG1-CE1 3.9Å; M7-Y762 HydrophobicContact CE-CD1 4.05Å; M7-Y762 HydrophobicContact CE-CG 3.9Å; M7-Y762 VanDerWaalsContact CE-O 3.29Å; M7-Y762 WeakPolarHBondContact CE-O 3.2Å; M7-Y762 HydrophobicContact CG-CD1 3.98Å; M7-Y762 HydrophobicContact CG-CD2 3.74Å; M7-Y762 HydrophobicContact CG-CE1 4.28Å; M7-Y762 HydrophobicContact CG-CE2 4.06Å; M7-Y762 HydrophobicContact CG-CG 3.69Å; M7-Y762 HydrophobicContact SD-CG 4.19Å; A10-Y762 HydrophobicContact CB-CE2 3.7Å; D33-Y762 WeakPolarHBondContact OD1-CE1 3.36Å; D33-Y762 PolarHBondContact OD1-OH 3.21Å; W731-Y762 HydrophobicContact CH2-CD1 4.09Å; W731-Y762 HydrophobicContact CH2-CE1 4.04Å; W731-Y762 HydrophobicContact CZ2-CD1 4.32Å; L758-Y762 HydrophobicContact CD1-CD2 4.46Å; L758-Y762 HydrophobicContact CD1-CE1 4.33Å; L758-Y762 HydrophobicContact CD1-CE2 3.8Å; L758-Y762 HydrophobicContact CD2-CE2 4.14Å; L758-Y762 HydrophobicContact CG-CD2 4.14Å; L758-Y762 HydrophobicContact CG-CE2 3.7Å; L758-Y762 PolarHBondContact O-N 3.3Å; W759-Y762 HydrophobicContact CE3-CD2 4.3Å; W759-Y762 PolarHBondContact O-N 2.86Å; Y762-N764 PolarHBondContact O-N 3.05Å; Y762-N764 VanDerWaalsContact O-N 3.08Å; Y762-S765 WeakPolarHBondContact O-CB 3.44Å; Y762-S765 PolarHBondContact O-N 3.48Å; Y762-S765 PolarHBondContact O-OG 2.63Å
763S91Very high89.4Confident51 Ų5150 Ų5036%0.35726%0.264SS..Hα-helixtrans-58.3-22.2177.6-67.60000114.1W759 L760 G761 S765 L766 L767W759-S763 WeakPolarHBondContact O-CB 3.38Å; W759-S763 PolarHBondContact O-N 3.04Å; W759-S763 PolarHBondContact O-OG 3.34Å; L760-S763 WeakPolarHBondContact O-CB 2.99Å; L760-S763 PolarHBondContact O-N 2.85Å; G761-S763 VanDerWaalsContact C-N 3.33Å; G761-S763 PolarHBondContact O-N 3.13Å; S763-S765 PolarHBondContact O-N 3.07Å; S763-S765 VanDerWaalsContact O-N 3.11Å; S763-L766 WeakPolarHBondContact O-CB 3.43Å; S763-L766 PolarHBondContact O-N 3.09Å; S763-L767 PolarHBondContact O-N 2.87Å; S763-L767 VanDerWaalsContact O-N 3.12Å
764N89.6Confident89.3Confident11 Ų1153.5 Ų53.56%0.05928%0.277CS..Hα-helixtrans-51.3-33.7168.9164.472.1000112.8F727 C730 G761 Y762 L766 L767 N768F727-N764 WeakPolarHBondContact CA-OD1 3.31Å; C730-N764 HydrophobicContact CB-CB 3.84Å; G761-N764 WeakPolarHBondContact O-CB 3.24Å; G761-N764 PolarHBondContact O-N 3.43Å; Y762-N764 PolarHBondContact O-N 3.05Å; Y762-N764 VanDerWaalsContact O-N 3.08Å; N764-L766 VanDerWaalsContact C-N 3.32Å; N764-L766 PolarHBondContact O-N 3.44Å; N764-L767 PolarHBondContact O-N 2.93Å; N764-N768 PolarHBondContact O-N 3.27Å; N764-N768 PolarHBondContact O-ND2 3.48Å
765S88.2Confident89.4Confident39 Ų3951.9 Ų51.927%0.27327%0.269SS..Hα-helixtrans-64.9-35.6178-56.60000112.5M7 Y762 S763 P769M7-S765 WeakPolarHBondContact CE-OG 3.01Å; Y762-S765 WeakPolarHBondContact O-CB 3.44Å; Y762-S765 PolarHBondContact O-N 3.48Å; Y762-S765 PolarHBondContact O-OG 2.63Å; S763-S765 PolarHBondContact O-N 3.07Å; S763-S765 VanDerWaalsContact O-N 3.11Å; S765-P769 WeakPolarHBondContact O-CD 3.05Å
766L89.3Confident89.1Confident118 Ų11853.1 Ų53.162%0.61828%0.277SS*.Hα-helixtrans-74.5-35.8176176.861.7000112.2S763 N764 N768 P769 I770S763-L766 WeakPolarHBondContact O-CB 3.43Å; S763-L766 PolarHBondContact O-N 3.09Å; N764-L766 VanDerWaalsContact C-N 3.32Å; N764-L766 PolarHBondContact O-N 3.44Å; L766-N768 VanDerWaalsContact C-N 3.27Å; L766-N768 PolarHBondContact O-N 3.21Å; L766-P769 WeakPolarHBondContact O-CD 3.46Å; L766-I770 HydrophobicContact CD1-CD1 4.39Å; L766-I770 HydrophobicContact CG-CD1 4.13Å
767L91Very high88.5Confident54 Ų5451.1 Ų51.128%0.28327%0.271SS..Hα-helixtrans-63-32178.9-67-178.2000113C726 S763 N764 I770 I771C726-L767 HydrophobicContact CB-CD1 3.95Å; S763-L767 PolarHBondContact O-N 2.87Å; S763-L767 VanDerWaalsContact O-N 3.12Å; N764-L767 PolarHBondContact O-N 2.93Å; L767-I770 WeakPolarHBondContact O-CB 3.43Å; L767-I770 PolarHBondContact O-N 3.38Å; L767-I771 HydrophobicContact CB-CD1 4.05Å; L767-I771 WeakPolarHBondContact O-CD1 3.36Å; L767-I771 VanDerWaalsContact O-CG1 3.25Å; L767-I771 WeakPolarHBondContact O-CG1 3.45Å; L767-I771 PolarHBondContact O-N 3.1Å
768N85Confident87.9Confident41 Ų4154.4 Ų54.422%0.21929%0.289CS..Hα-helixtrans-57-57.6-175.1-87.1-82.4000113.2N764 L766 I770 I771 Y772N764-N768 PolarHBondContact O-N 3.27Å; N764-N768 PolarHBondContact O-ND2 3.48Å; L766-N768 VanDerWaalsContact C-N 3.27Å; L766-N768 PolarHBondContact O-N 3.21Å; N768-I770 VanDerWaalsContact C-N 3.3Å; N768-I770 PolarHBondContact O-N 3.13Å; N768-I771 PolarHBondContact O-N 3.1Å; N768-Y772 WeakPolarHBondContact O-CD2 3.3Å; N768-Y772 PolarHBondContact O-N 3.19Å; N768-Y772 VanDerWaalsContact O-N 3.16Å
769P87Confident87.6Confident74 Ų7457.1 Ų57.148%0.48130%0.3SS..Hα-helixtrans-53.5-42.4172.8-28.234.7000114.1S765 L766 Y772 T773S765-P769 WeakPolarHBondContact O-CD 3.05Å; L766-P769 WeakPolarHBondContact O-CD 3.46Å; P769-Y772 PolarHBondContact O-N 3.35Å; P769-T773 WeakPolarHBondContact O-CG2 3.35Å; P769-T773 PolarHBondContact O-N 3.23Å
770I90.4Very high87.3Confident74 Ų7456.9 Ų56.938%0.37930%0.299SS..Hα-helixtrans-60.8-52.1-178.5-61.9171.4000110L766 L767 N768 Y772 T773 I774L766-I770 HydrophobicContact CD1-CD1 4.39Å; L766-I770 HydrophobicContact CG-CD1 4.13Å; L767-I770 WeakPolarHBondContact O-CB 3.43Å; L767-I770 PolarHBondContact O-N 3.38Å; N768-I770 VanDerWaalsContact C-N 3.3Å; N768-I770 PolarHBondContact O-N 3.13Å; I770-Y772 VanDerWaalsContact C-N 3.32Å; I770-Y772 PolarHBondContact O-N 3.3Å; I770-T773 PolarHBondContact O-N 3.45Å; I770-T773 VanDerWaalsContact O-N 3.14Å; I770-T773 PolarHBondContact O-OG1 3.49Å; I770-I774 HydrophobicContact CG2-CD1 3.82Å; I770-I774 WeakPolarHBondContact O-CG1 3.4Å; I770-I774 PolarHBondContact O-N 3.1Å; I770-I774 VanDerWaalsContact O-N 3.12Å
771I91.6Very high86.8Confident11 Ų1157.6 Ų57.66%0.05630%0.303CS..Hα-helixtrans-58.6-42.8179.7-64.8161.9000111T719 I722 I723 C726 L767 N768 T773 I774 F775T719-I771 HydrophobicContact CG2-CG2 4.34Å; I722-I771 HydrophobicContact CG2-CD1 4.4Å; I722-I771 HydrophobicContact CG2-CG1 4.38Å; I722-I771 HydrophobicContact CG2-CG2 3.95Å; I723-I771 HydrophobicContact CD1-CG2 4.37Å; I723-I771 HydrophobicContact CG1-CB 4.42Å; I723-I771 HydrophobicContact CG1-CD1 4.38Å; I723-I771 HydrophobicContact CG1-CG2 3.65Å; C726-I771 HydrophobicContact CB-CD1 3.87Å; L767-I771 HydrophobicContact CB-CD1 4.05Å; L767-I771 WeakPolarHBondContact O-CD1 3.36Å; L767-I771 VanDerWaalsContact O-CG1 3.25Å; L767-I771 WeakPolarHBondContact O-CG1 3.45Å; L767-I771 PolarHBondContact O-N 3.1Å; N768-I771 PolarHBondContact O-N 3.1Å; I771-T773 PolarHBondContact O-N 3.12Å; I771-I774 PolarHBondContact O-N 3.4Å; I771-F775 HydrophobicContact CG2-CD2 3.98Å; I771-F775 PolarHBondContact O-N 3.47Å
772Y87.1Confident86.5Confident83 Ų8360 Ų6033%0.32532%0.322SS..Hα-helixtrans-64.1-40176.9-72-61000113I723 N768 P769 I770 I774 S776I723-Y772 HydrophobicContact CD1-CD1 4.43Å; I723-Y772 HydrophobicContact CD1-CE1 3.65Å; I723-Y772 HydrophobicContact CD1-CE2 4.36Å; N768-Y772 WeakPolarHBondContact O-CD2 3.3Å; N768-Y772 PolarHBondContact O-N 3.19Å; N768-Y772 VanDerWaalsContact O-N 3.16Å; P769-Y772 PolarHBondContact O-N 3.35Å; I770-Y772 VanDerWaalsContact C-N 3.32Å; I770-Y772 PolarHBondContact O-N 3.3Å; Y772-I774 VanDerWaalsContact C-N 3.35Å; Y772-I774 PolarHBondContact O-N 3.17Å; Y772-S776 WeakPolarHBondContact O-CA 3.5Å; Y772-S776 VanDerWaalsContact O-CB 3.27Å; Y772-S776 WeakPolarHBondContact O-CB 3.3Å; Y772-S776 PolarHBondContact O-N 3Å
773T86.8Confident86.2Confident39 Ų3963.8 Ų63.824%0.23934%0.339CS..Hα-helixtrans-68.5-30.8177.563.60000113.8P769 I770 I771 F779 R780 F783P769-T773 WeakPolarHBondContact O-CG2 3.35Å; P769-T773 PolarHBondContact O-N 3.23Å; I770-T773 PolarHBondContact O-N 3.45Å; I770-T773 VanDerWaalsContact O-N 3.14Å; I770-T773 PolarHBondContact O-OG1 3.49Å; I771-T773 PolarHBondContact O-N 3.12Å; T773-F779 HydrophobicContact CG2-CD1 4.26Å; T773-F779 HydrophobicContact CG2-CE1 3.99Å; T773-R780 WeakPolarHBondContact O-CB 3.48Å; T773-R780 WeakPolarHBondContact O-CD 3.4Å; T773-R780 PolarHBondContact O-NH1 3.21Å; T773-F783 HydrophobicContact CG2-CD1 4.1Å; T773-F783 HydrophobicContact CG2-CE1 4.26Å
774I87.8Confident85.8Confident90 Ų9068.2 Ų68.246%0.46235%0.348SS..Hα-helixtrans-79.4-55.7179.1-63.1171.1000110.5I770 I771 Y772 R780I770-I774 HydrophobicContact CG2-CD1 3.82Å; I770-I774 WeakPolarHBondContact O-CG1 3.4Å; I770-I774 PolarHBondContact O-N 3.1Å; I770-I774 VanDerWaalsContact O-N 3.12Å; I771-I774 PolarHBondContact O-N 3.4Å; Y772-I774 VanDerWaalsContact C-N 3.35Å; Y772-I774 PolarHBondContact O-N 3.17Å; I774-R780 PolarHBondContact O-NH1 2.8Å
775F85.5Confident85.5Confident80 Ų8072 Ų7235%0.35136%0.364SS..Hα-helixtrans-96.8-23.7-165.3-65.4-80.6000114.9T719 I722 I771 P777T719-F775 HydrophobicContact CG2-CB 3.95Å; I722-F775 HydrophobicContact CD1-CD1 3.79Å; I722-F775 HydrophobicContact CD1-CD2 4.24Å; I722-F775 HydrophobicContact CD1-CE1 3.6Å; I722-F775 HydrophobicContact CD1-CE2 4.06Å; I722-F775 HydrophobicContact CD1-CG 4.11Å; I722-F775 HydrophobicContact CD1-CZ 3.75Å; I722-F775 HydrophobicContact CG2-CE2 4.32Å; I771-F775 HydrophobicContact CG2-CD2 3.98Å; I771-F775 PolarHBondContact O-N 3.47Å; F775-P777 WeakPolarHBondContact O-CD 3.33Å
776S82.6Confident85.4Confident30 Ų3075.8 Ų75.821%0.2138%0.38CS..  trans-9698.1173.5-177.80000110.7Y772 D778 F779 R780Y772-S776 WeakPolarHBondContact O-CA 3.5Å; Y772-S776 VanDerWaalsContact O-CB 3.27Å; Y772-S776 WeakPolarHBondContact O-CB 3.3Å; Y772-S776 PolarHBondContact O-N 3Å; S776-D778 PolarHBondContact O-N 3.31Å; S776-F779 PolarHBondContact O-N 2.94Å; S776-F779 WeakPolarHBondContact OG-CB 3.2Å; S776-F779 PolarHBondContact OG-N 3.49Å; S776-R780 PolarHBondContact O-N 3.27Å
777P79.1Confident85.2Confident47 Ų4775 Ų7531%0.30538%0.376SS..Hα-helixtrans-65.2-30.7-179.329-36000111.8F775 R780 N781F775-P777 WeakPolarHBondContact O-CD 3.33Å; P777-R780 PolarHBondContact O-N 3.35Å; P777-N781 WeakPolarHBondContact O-CB 3.47Å; P777-N781 PolarHBondContact O-N 3.44Å; P777-N781 PolarHBondContact O-ND2 3.14Å; P777-N781 PolarHBondContact O-OD1 3.05Å
778D80.8Confident84.8Confident104 Ų10479.7 Ų79.756%0.55639%0.394SS*.Hα-helixtrans-69.8-42.2178.4-55.6-60.4000110.7S776 N781 A782S776-D778 PolarHBondContact O-N 3.31Å; D778-N781 PolarHBondContact O-N 3.5Å; D778-A782 PolarHBondContact O-N 2.9Å
779F82Confident83.9Confident84 Ų8480 Ų8037%0.36841%0.408SS..Hα-helixtrans-63.1-47.1170.9-174-92000111.3T773 S776 N781 A782 F783T773-F779 HydrophobicContact CG2-CD1 4.26Å; T773-F779 HydrophobicContact CG2-CE1 3.99Å; S776-F779 PolarHBondContact O-N 2.94Å; S776-F779 WeakPolarHBondContact OG-CB 3.2Å; S776-F779 PolarHBondContact OG-N 3.49Å; F779-N781 VanDerWaalsContact C-N 3.27Å; F779-N781 PolarHBondContact O-N 2.73Å; F779-A782 PolarHBondContact O-N 3.41Å; F779-F783 HydrophobicContact CD1-CB 4.46Å; F779-F783 HydrophobicContact CE1-CB 4.3Å; F779-F783 HydrophobicContact CE1-CD2 4.44Å; F779-F783 HydrophobicContact CE1-CG 4.41Å; F779-F783 VanDerWaalsContact O-CB 3.26Å; F779-F783 WeakPolarHBondContact O-CB 3.41Å; F779-F783 PolarHBondContact O-N 2.62Å
780R83.9Confident82.7Confident85 Ų8587 Ų8732%0.32142%0.424SS..Hα-helixtrans-58.6-37.8176.6-178.2172.659.7-128.59.5112.6T773 I774 S776 P777 R784T773-R780 WeakPolarHBondContact O-CB 3.48Å; T773-R780 WeakPolarHBondContact O-CD 3.4Å; T773-R780 PolarHBondContact O-NH1 3.21Å; I774-R780 PolarHBondContact O-NH1 2.8Å; S776-R780 PolarHBondContact O-N 3.27Å; P777-R780 PolarHBondContact O-N 3.35Å; R780-R784 HydrophobicContact CG-CG 4.48Å; R780-R784 VanDerWaalsContact O-CB 3.3Å; R780-R784 WeakPolarHBondContact O-CB 3.4Å; R780-R784 VanDerWaalsContact O-CG 3.27Å; R780-R784 WeakPolarHBondContact O-CG 3.41Å; R780-R784 PolarHBondContact O-N 2.98Å
781N83.2Confident81.2Confident91 Ų9190.3 Ų90.349%0.48743%0.433SS..Hα-helixtrans-70-41.4177.5-70.8-19.6000111.7P777 D778 F779 K785P777-N781 WeakPolarHBondContact O-CB 3.47Å; P777-N781 PolarHBondContact O-N 3.44Å; P777-N781 PolarHBondContact O-ND2 3.14Å; P777-N781 PolarHBondContact O-OD1 3.05Å; D778-N781 PolarHBondContact O-N 3.5Å; F779-N781 VanDerWaalsContact C-N 3.27Å; F779-N781 PolarHBondContact O-N 2.73Å; N781-K785 WeakPolarHBondContact O-CB 3.5Å; N781-K785 PolarHBondContact O-N 2.77Å
782A84.5Confident79.7Confident49 Ų4996.3 Ų96.341%0.40547%0.465SS..Hα-helixtrans-63.3-46.917300000111.8D778 F779 R784 K785 I786D778-A782 PolarHBondContact O-N 2.9Å; F779-A782 PolarHBondContact O-N 3.41Å; A782-R784 PolarHBondContact O-N 3.43Å; A782-K785 WeakPolarHBondContact O-CA 3.3Å; A782-K785 WeakPolarHBondContact O-CB 3.4Å; A782-K785 PolarHBondContact O-N 3.42Å; A782-I786 WeakPolarHBondContact O-CG1 3.27Å; A782-I786 PolarHBondContact O-N 3.19Å
783F83.5Confident78.3Confident84 Ų8499.9 Ų99.937%0.36849%0.489SS..Hα-helixtrans-61.5-41.2177.6-168.9-112.9000112.1T773 F779 K785 I786 L787T773-F783 HydrophobicContact CG2-CD1 4.1Å; T773-F783 HydrophobicContact CG2-CE1 4.26Å; F779-F783 HydrophobicContact CD1-CB 4.46Å; F779-F783 HydrophobicContact CE1-CB 4.3Å; F779-F783 HydrophobicContact CE1-CD2 4.44Å; F779-F783 HydrophobicContact CE1-CG 4.41Å; F779-F783 VanDerWaalsContact O-CB 3.26Å; F779-F783 WeakPolarHBondContact O-CB 3.41Å; F779-F783 PolarHBondContact O-N 2.62Å; F783-K785 PolarHBondContact O-N 3.18Å; F783-I786 PolarHBondContact O-N 3Å; F783-L787 HydrophobicContact CD1-CD1 3.85Å; F783-L787 HydrophobicContact CE1-CD1 3.42Å; F783-L787 VanDerWaalsContact CE1-CD1 3.42Å; F783-L787 HydrophobicContact CE1-CG 4.28Å; F783-L787 HydrophobicContact CE2-CD1 4.48Å; F783-L787 HydrophobicContact CZ-CD1 3.77Å; F783-L787 HydrophobicContact CZ-CG 4.3Å; F783-L787 WeakPolarHBondContact O-CG 3.08Å; F783-L787 PolarHBondContact O-N 3.13Å
784R82.4Confident76.8Confident144 Ų144108.6 Ų108.654%0.54352%0.518SS..Hα-helixtrans-64-36.1170.6-78.7176.9172.6-169-4.5113R780 A782 I786 F788R780-R784 HydrophobicContact CG-CG 4.48Å; R780-R784 VanDerWaalsContact O-CB 3.3Å; R780-R784 WeakPolarHBondContact O-CB 3.4Å; R780-R784 VanDerWaalsContact O-CG 3.27Å; R780-R784 WeakPolarHBondContact O-CG 3.41Å; R780-R784 PolarHBondContact O-N 2.98Å; A782-R784 PolarHBondContact O-N 3.43Å; R784-I786 VanDerWaalsContact C-N 3.34Å; R784-F788 HydrophobicContact CB-CD2 4.36Å; R784-F788 HydrophobicContact CG-CD2 4.38Å; R784-F788 WeakPolarHBondContact O-CB 3.45Å; R784-F788 PolarHBondContact O-N 3.01Å
785K84.6Confident75.4Confident90 Ų90108.6 Ų108.639%0.39153%0.525SS..Hα-helixtrans-66.8-37.1175.2-170-171.6177.7-166.50111.6N781 A782 F783 G789 Y791N781-K785 WeakPolarHBondContact O-CB 3.5Å; N781-K785 PolarHBondContact O-N 2.77Å; A782-K785 WeakPolarHBondContact O-CA 3.3Å; A782-K785 WeakPolarHBondContact O-CB 3.4Å; A782-K785 PolarHBondContact O-N 3.42Å; F783-K785 PolarHBondContact O-N 3.18Å; K785-G789 PolarHBondContact O-N 2.98Å; K785-Y791 HydrophobicContact CD-CE1 4.45Å; K785-Y791 VanDerWaalsContact CE-CE1 3.42Å
786I85Confident73.9Confident119 Ų119112.6 Ų112.661%0.6155%0.55SS*.Hα-helixtrans-67.8-53.6175.5-66.9162.5000110.3A782 F783 R784A782-I786 WeakPolarHBondContact O-CG1 3.27Å; A782-I786 PolarHBondContact O-N 3.19Å; F783-I786 PolarHBondContact O-N 3Å; R784-I786 VanDerWaalsContact C-N 3.34Å
787L84.6Confident72.4Confident102 Ų102116 Ų11653%0.53457%0.574SS.*Hα-helixtrans-69.1-37.8-177.2-70.6-178.7000114.4F783F783-L787 HydrophobicContact CD1-CD1 3.85Å; F783-L787 HydrophobicContact CE1-CD1 3.42Å; F783-L787 VanDerWaalsContact CE1-CD1 3.42Å; F783-L787 HydrophobicContact CE1-CG 4.28Å; F783-L787 HydrophobicContact CE2-CD1 4.48Å; F783-L787 HydrophobicContact CZ-CD1 3.77Å; F783-L787 HydrophobicContact CZ-CG 4.3Å; F783-L787 WeakPolarHBondContact O-CG 3.08Å; F783-L787 PolarHBondContact O-N 3.13Å
788F84.1Confident70.6Confident153 Ų153124.1 Ų124.167%0.67160%0.598SS**THydrogen-bonded Turntrans-112.118.5-171.7-57.2-71000113.8R784 R790R784-F788 HydrophobicContact CB-CD2 4.36Å; R784-F788 HydrophobicContact CG-CD2 4.38Å; R784-F788 WeakPolarHBondContact O-CB 3.45Å; R784-F788 PolarHBondContact O-N 3.01Å; F788-R790 PolarHBondContact O-N 3.26Å
789G65.7Low70.1Confident48 Ų48125.1 Ų125.150%0.49560%0.6SS.*  trans62.8-5.9155.500000119.3K785 Y791K785-G789 PolarHBondContact O-N 2.98Å; G789-Y791 VanDerWaalsContact C-N 3.26Å; G789-Y791 WeakPolarHBondContact O-CD2 3.4Å; G789-Y791 PolarHBondContact O-N 3.36Å
790R61Low69.5Low220 Ų220127.3 Ų127.383%0.8361%0.612SS**  trans-77.171.9-175.1-75.8-172.9172.5175.5-1.5113.2F788 N792F788-R790 PolarHBondContact O-N 3.26Å; R790-N792 VanDerWaalsContact C-N 3.3Å; R790-N792 PolarHBondContact O-N 3.32Å
791Y60.3Low68.7Low144 Ų144129.6 Ų129.657%0.56563%0.628SS**  trans-68.885.8157.2-69.7-97.4000109.4K785 G789 L793K785-Y791 HydrophobicContact CD-CE1 4.45Å; K785-Y791 VanDerWaalsContact CE-CE1 3.42Å; G789-Y791 VanDerWaalsContact C-N 3.26Å; G789-Y791 WeakPolarHBondContact O-CD2 3.4Å; G789-Y791 PolarHBondContact O-N 3.36Å; Y791-L793 PolarHBondContact O-N 3.19Å
792N59.4Low67.8Low137 Ų137131.9 Ų131.973%0.73364%0.637SS**  trans-60.1112.6162.8-83.8-9.5000108.2R790 R794R790-N792 VanDerWaalsContact C-N 3.3Å; R790-N792 PolarHBondContact O-N 3.32Å; N792-R794 PolarHBondContact O-N 2.99Å
793L57Low66.8Low157 Ų157137.1 Ų137.182%0.82265%0.651SS**SBendtrans-72.960.5-176.9-125.380.7000111.8Y791Y791-L793 PolarHBondContact O-N 3.19Å
794R55.6Low65.7Low223 Ų223140.6 Ų140.684%0.84267%0.67SS**  trans-134.416.2-175.9-90.8-171.2173.9-172.8-1.4113.9N792N792-R794 PolarHBondContact O-N 2.99Å
795S57.8Low64.5Low89 Ų89140.4 Ų140.462%0.62268%0.679SS**SBendtrans-133.626.4174.976.40000113.1
796L54.9Low63Low165 Ų165144.2 Ų144.286%0.86470%0.701SS**SBendtrans-117.49.3169.8-12578.1000111.7
797S50.5Low61.1Low102 Ų102146.3 Ų146.371%0.71371%0.709SS**  trans-127.737.4-176.969.80000110.8
798R42.5Very low59Low216 Ų216150.4 Ų150.482%0.81573%0.725SS**  trans-162.40-179.3-102.8-166.5173165.31.9108.7C534 D536C534-R798 PolarHBondContact SG-NH2 2.89Å; D536-R798 IonicContact OD1-CZ 3.46Å; D536-R798 IonicContact OD1-NE 2.8Å; D536-R798 PolarHBondContact OD1-NE 3.15Å; D536-R798 IonicContact OD1-NH2 3.71Å; D536-R798 PolarHBondContact OD1-NH2 3.11Å; D536-R798 IonicContact OD2-CZ 2.75Å; D536-R798 IonicContact OD2-NE 3.72Å; D536-R798 PolarHBondContact OD2-NE 3.11Å; D536-R798 IonicContact OD2-NH2 3.71Å; D536-R798 PolarHBondContact OD2-NH2 3.23Å

Retrieved 798 of 798 residues in 350.3 ms (Link to these results)

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